45269050 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 17 17 8 7 7 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 2 3 4 4 4 5 5 5 6 6 6 6 7 7 8 9 9 9 10 10 11 11 13 13 14 14 15 16 17 18 18 19 19 20 16 17 12 8 13 26 12 30 31 7 9 12 21 8 10 11 22 23 24 14 25 15 27 16 17 15 28 29 18 19 20 32 20 33 34 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 2 2 1 1 1 1 6 7 9 12 21 3 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 6.001 7.7331 3.403 6.001 2.5369 4.269 5.135 6.001 4.269 5.135 6.8671 3.403 6.8671 6.001 6.8671 6.8671 7.7331 7.7331 8.5991 8.5991 4.8059 4.889 4.269 3.649 4.5981 5.4641 7.404 6.001 7.404 2 2.5369 7.7331 9.136 9.136 2.5 -0.5 -2 0.5 -0.5 -0.5 -1 -0.5 0.5 -2 -1 -1 1 -2.5 -2 2 0.5 2.5 1 2 -0.19 0.5 1.12 0.5 -2.31 0.81 -0.69 -3.12 -2.31 -0.81 0.12 3.12 0.69 2.31 3 8 8 8 8 8 8 8 8 8 8 8 8 6 7 7 8 10 11 13 13 14 16 17 18 19 9 8 10 11 14 15 16 17 15 18 19 20 20 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 330 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0732000060000000000000000000000000000000000306000000000000000014000001E02100000000D0A81982032C082C00000880225525000820000210700088801006688082072C19791C42008609000C8C8071C88C08E80000000008200100000000001040020000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(2,6-dichloroanilino)phenyl]propanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(2,6-dichloroanilino)phenyl]propanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(2,6-dichloroanilino)phenyl]propanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(2,6-dichloroanilino)phenyl]propanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(2,6-dichloroanilino)phenyl]propionamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H14Cl2N2O/c1-9(15(18)20)10-5-2-3-8-13(10)19-14-11(16)6-4-7-12(14)17/h2-9,19H,1H3,(H2,18,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RJQUTNJNKSGMHW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.0483185 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H14Cl2N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 309.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl)C(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 55.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.0483185 20 1 0 1 0 0 0 0 1 -1