1.0 2016-09-30 22:43:03 UTC 2020-04-22 15:07:17 UTC BMDB0001250 BMDB01250 N-Acetylarylamine Acetamidobenzene Acetanil Acetanilid Acetanilide Acetic acid anilide N-Acetylaminobenzene N-Phenylacetamide Acetate anilide Antifebrin N-Acetylarylamine C8H9NO 135.1632 135.068413915 N-phenylacetamide acetanilide 55576-55-1 CC(=O)NC1=CC=CC=C1 InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10) FZERHIULMFGESH-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Organic compounds Benzenoids Benzene and substituted derivatives Benzene and substituted derivatives Carboximidic acids Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aromatic homomonocyclic compound Carboximidic acid Carboximidic acid derivative Hydrocarbon derivative Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compounds a small molecule acetamides anilide Solid water_solubility 6.39 mg/mL at 25 °C logp 1.16 HANSCH,C ET AL. (1995) logp 1.05 ALOGPS logs -1.53 ALOGPS logp 1.21 ChemAxon pka_strongest_acidic 14.38 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac N-phenylacetamide ChemAxon average_mass 135.1632 ChemAxon mono_mass 135.068413915 ChemAxon smiles CC(=O)NC1=CC=CC=C1 ChemAxon formula C8H9NO ChemAxon inchi InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10) ChemAxon inchikey FZERHIULMFGESH-UHFFFAOYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 40.92 ChemAxon polarizability 14.52 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 1153 Specdb::MsIr 1154 Specdb::MsIr 1155 Specdb::CMs 21589 Specdb::CMs 29717 Specdb::CMs 31744 Specdb::CMs 31745 Specdb::CMs 31746 Specdb::CMs 99675 Specdb::CMs 99676 Specdb::CMs 99677 Specdb::CMs 99678 Specdb::CMs 147250 Specdb::MsMs 77049 Specdb::MsMs 77050 Specdb::MsMs 77051 Specdb::MsMs 137055 Specdb::MsMs 137056 Specdb::MsMs 137057 Specdb::MsMs 437226 Specdb::MsMs 437227 Specdb::MsMs 437228 Specdb::MsMs 437229 Specdb::MsMs 437230 Specdb::MsMs 445696 Specdb::MsMs 445697 Specdb::MsMs 445698 Specdb::MsMs 445699 Specdb::MsMs 445700 Specdb::MsMs 2248646 Specdb::MsMs 3034886 Specdb::MsMs 3034887 Specdb::MsMs 3034888 Specdb::MsMs 3104672 Specdb::MsMs 3104673 Specdb::MsMs 3104674 C07565 FDB022512 880 904 28884 N-Phenylacetamide 6107