70655273 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 10 12 12 13 14 14 15 16 16 16 17 17 18 11 13 11 12 23 15 18 7 8 11 9 10 13 9 19 10 20 21 22 14 15 16 17 24 25 26 27 28 18 29 30 2 2 1 1 1 1 2 2 1 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 2 3.732 3.732 2.866 2.866 2.866 2 3.732 2 3.732 2.866 3.732 2.866 4.5981 2.866 2 4.5981 3.732 1.4631 4.269 1.4631 4.269 4.269 5.135 2.3291 1.69 1.4631 2.31 5.135 3.732 1 -4 1 3.5 -0.5 -2.5 -1 -1 -2 -2 0.5 2 -3.5 2.5 2.5 -4 3.5 4 -0.69 -0.69 -2.31 -2.31 0.69 2.19 2.19 -3.4631 -4.31 -4.5369 3.81 4.62 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 8 12 12 14 17 15 18 7 8 9 10 9 10 14 15 17 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 309 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07330000000000000000000000000000000000000003C400000000000000001C000001E00100000000C0CC19A043EC092C81000A802B577540082802035122008D8213874D80860F2C09591942108609400C8C9871888C08E40000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-acetyl-N-(3-pyridyl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-acetyl-N-(3-pyridinyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-acetyl-<I>N</I>-pyridin-3-ylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-acetyl-N-pyridin-3-ylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-ethanoyl-N-pyridin-3-yl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-acetyl-N-(3-pyridyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H12N2O2/c1-10(17)11-4-6-12(7-5-11)14(18)16-13-3-2-8-15-9-13/h2-9H,1H3,(H,16,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JFGCFBZXHPERGK-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 240.089877630 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H12N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 240.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)C1=CC=C(C=C1)C(=O)NC2=CN=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)C1=CC=C(C=C1)C(=O)NC2=CN=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 59.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 240.089877630 18 0 0 0 0 0 0 0 1 -1