37123 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 17 9 9 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 2 3 4 5 6 6 6 7 7 7 8 8 8 9 9 11 12 13 13 14 14 16 16 17 17 18 19 19 20 20 21 11 12 10 15 9 15 22 10 15 25 10 11 12 13 14 16 17 19 23 20 24 18 26 18 27 28 21 29 21 30 1 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 2 1 2 1 1 1 1 2 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 5.4641 2 5.4641 2.866 3.732 5.4641 4.5981 3.732 5.4641 3.732 2.866 4.5981 4.5981 6.3301 4.5981 2.866 4.5981 3.732 4.5981 6.3301 5.4641 6.001 4.0611 6.8671 5.135 2.3291 5.135 3.732 4.0611 6.8671 4.5 -2.5 -2.5 -1 0.5 0.5 -1 -2.5 1.5 -1.5 -3 -3 2 2 0 -4 -4 -4.5 3 3 3.5 0.19 1.69 1.69 -1.31 -4.31 -4.31 -5.12 3.31 3.31 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 11 12 13 14 16 17 19 20 11 12 13 14 16 17 19 20 18 18 21 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 379 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0733180040000000000000000000000000000000000306000000000000000014000001F02100000000C0A81982831C082C000008802255250008200002507000888010066C8882032C1979184210868952248C9271888008E00004000000000000000800000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-chlorophenyl)carbamoyl]-2,6-difluoro-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-chloroanilino)-oxomethyl]-2,6-difluorobenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-chlorophenyl)carbamoyl]-2,6-bis(fluoranyl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-chlorophenyl)carbamoyl]-2,6-difluoro-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QQQYTWIFVNKMRW-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 310.0320616 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H9ClF2N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 310.68 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 58.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 310.0320616 21 0 0 0 0 0 0 0 1 -1