11841245 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 8 7 7 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 2 2 2 3 3 3 4 4 4 4 5 5 5 6 6 7 8 8 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 18 18 19 20 20 21 21 22 9 6 12 13 7 9 27 5 8 23 24 9 25 26 7 10 11 14 15 16 28 17 29 18 30 19 31 20 32 21 33 17 34 35 19 36 37 22 38 22 39 40 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 1 2 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 6.3301 8.9282 7.1962 4.5981 5.4641 8.9282 8.0622 3.732 6.3301 9.7942 8.0622 9.7372 8.1192 3.732 2.866 9.7942 8.9282 9.4282 8.4282 2.866 2 2 4.1996 4.9966 5.8626 5.0656 7.1962 10.3312 7.5252 10.3269 7.5295 4.269 2.866 10.3312 8.9282 9.7926 8.0638 2.866 1.4631 1.4631 -1.7694 0.7306 -0.2694 -0.7694 -0.2694 -0.2694 -0.7694 -0.2694 -0.7694 -0.7694 -1.7694 1.3184 1.3184 0.7306 -0.7694 -1.7694 -2.2694 2.2694 2.2694 1.2306 -0.2694 0.7306 -1.2444 -1.2444 0.2055 0.2055 0.3506 -0.4594 -2.0794 1.1268 1.1268 1.0406 -1.3894 -2.0794 -2.8894 2.771 2.771 1.8506 -0.5794 1.0406 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 6 6 7 8 8 10 11 12 13 14 15 16 18 20 21 12 13 7 10 11 14 15 16 17 18 19 20 21 17 19 22 22 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 345 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B200000000000000000000000000000016000000030600000000000000001D000001E00100000000C08C19A043CC093CC1000A8023577540082802031022008D8213874980860F2C09191942008609400C8C8071888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-phenyl-N-(2-pyrrol-1-ylphenyl)propanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-phenyl-N-[2-(1-pyrrolyl)phenyl]propanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-phenyl-<I>N</I>-(2-pyrrol-1-ylphenyl)propanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-phenyl-N-(2-pyrrol-1-ylphenyl)propanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-phenyl-N-(2-pyrrol-1-ylphenyl)propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-phenyl-N-(2-pyrrol-1-ylphenyl)propionamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H18N2O/c22-19(13-12-16-8-2-1-3-9-16)20-17-10-4-5-11-18(17)21-14-6-7-15-21/h1-11,14-15H,12-13H2,(H,20,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PMOBJUKECYYNPK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.141913202 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H18N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2N3C=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2N3C=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 34 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.141913202 22 0 0 0 0 0 0 0 1 -1