70143043 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 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 6 6 6 7 7 8 8 9 9 11 11 11 12 12 13 14 14 15 15 15 16 16 18 18 19 19 20 20 21 21 22 23 24 24 25 25 26 26 27 28 28 29 30 30 31 10 17 9 10 33 15 17 44 29 31 7 8 12 10 14 18 19 13 16 13 17 21 20 32 34 22 35 24 36 37 23 38 25 39 26 40 22 42 23 41 43 45 28 29 27 46 27 47 48 30 49 50 31 51 52 2 2 1 1 1 1 1 1 1 2 1 1 2 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 2 2 1 1 1 1 2 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 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 4.5981 8.9282 6.3301 8.0622 9.7942 4.5981 5.4641 3.732 6.3301 5.4641 7.1962 4.5981 7.1962 6.3301 8.9282 5.4641 8.0622 2.866 3.732 5.4641 6.3301 6.3301 5.4641 8.9282 2 2.866 2 8.0622 9.7942 8.0622 8.9282 4.0611 6.8671 7.7331 6.8671 9.1403 9.5388 4.9272 2.866 4.269 6.3301 5.4641 6.8671 7.5252 4.9272 1.4631 2.866 1.4631 7.5252 10.3312 7.5252 8.9282 -2 0.5 -2 2 5 -4 -3.5 -3.5 -1 -2.5 0.5 -5 -0.5 -4 2.5 -0.5 1 -4 -2.5 -5.5 1 -5 0.5 3.5 -3.5 -2 -2.5 4 4 5 5.5 -5.31 -2.31 -0.81 -3.69 1.9174 2.6077 -0.81 -4.62 -2.19 1.62 -6.12 -5.31 2.31 0.81 -3.81 -1.38 -2.19 3.69 3.69 5.31 6.12 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 8 8 9 9 11 11 12 14 16 18 19 20 21 24 24 25 26 28 30 29 31 7 12 14 18 19 13 16 13 21 20 22 23 25 26 22 23 28 29 27 27 30 31 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 589 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C60C100000000000001D400001E00100000000C08C19A043CC092C81000A8023577540082802035022008D8A13864D80820F2C0D591842108609600C8C9871C88C08E80000040001000000000008000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenyl-N-[3-(3-pyridylmethylcarbamoyl)phenyl]benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-2-phenylbenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenyl-<I>N</I>-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenyl-N-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenyl-N-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenyl-N-[3-(3-pyridylmethylcarbamoyl)phenyl]benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C26H21N3O2/c30-25(28-18-19-8-7-15-27-17-19)21-11-6-12-22(16-21)29-26(31)24-14-5-4-13-23(24)20-9-2-1-3-10-20/h1-17H,18H2,(H,28,30)(H,29,31) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AOJZXMMLHSMBSN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 407.16337692 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C26H21N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 407.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(=O)NCC4=CN=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(=O)NCC4=CN=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 71.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 407.16337692 31 0 0 0 0 0 0 0 1 -1