25237202 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 31 17 17 8 7 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 2 3 4 4 4 5 6 6 7 7 7 8 8 8 9 9 10 10 12 13 13 15 15 15 16 17 17 18 19 19 20 12 14 11 5 11 26 16 18 20 8 9 10 11 21 22 12 23 13 24 14 14 25 16 17 18 27 19 28 29 20 30 31 1 1 2 1 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 5 -1 4 16 15 27 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 31 2 3.732 5.4641 4.5981 5.4641 7.1962 3.732 3.732 2.866 4.5981 4.5981 2.866 4.5981 3.732 6.3301 5.4641 7.1962 6.3301 8.0622 8.0622 3.52 3.1215 2.3291 5.135 5.135 4.0611 4.9272 7.1962 5.7932 8.5991 8.5991 -3.5 -4.5 -0.5 1 1.5 4.5 -1.5 -0.5 -2 -2 0 -3 -3 -3.5 3 2.5 2.5 4 3 4 0.0826 -0.6077 -1.69 -1.69 -3.31 1.31 2.81 1.88 4.31 2.69 4.31 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 9 10 12 13 15 15 17 19 18 20 9 10 12 13 14 14 17 18 19 20 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 351 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07320000600000000000000000000000000000000003C400000000000000001C000001E02180000000C02C19A243C80926A1000A802317754009280203107201ADA613866980820F2C19791842008609800C8C8071888808E04000020000000040800004000000008000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3,4-dichlorophenyl)-N-[(E)-3-pyridylmethyleneamino]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3,4-dichlorophenyl)-N-[(E)-3-pyridinylmethylideneamino]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3,4-dichlorophenyl)-<I>N</I>-[(<I>E</I>)-pyridin-3-ylmethylideneamino]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3,4-dichlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3,4-dichlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3,4-dichlorophenyl)-N-[(E)-3-pyridylmethyleneamino]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H11Cl2N3O/c15-12-4-3-10(6-13(12)16)7-14(20)19-18-9-11-2-1-5-17-8-11/h1-6,8-9H,7H2,(H,19,20)/b18-9+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NPPALXOJDPDUTL-GIJQJNRQSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.0279174 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H11Cl2N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.2 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=CN=C1)C=NNC(=O)CC2=CC(=C(C=C2)Cl)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=CN=C1)/C=N/NC(=O)CC2=CC(=C(C=C2)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 54.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.0279174 20 0 0 0 1 1 0 0 1 -1