60271066 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 16 9 9 8 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 2 3 4 5 6 6 6 7 7 7 8 8 9 10 10 10 10 12 12 13 13 14 15 16 16 17 17 18 19 19 20 21 21 22 22 23 24 25 25 26 14 23 20 24 11 15 8 11 29 9 15 30 9 12 13 11 14 27 28 17 31 18 32 19 16 20 21 18 33 34 22 35 25 24 36 23 37 38 26 26 39 40 1 1 1 1 2 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 2 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 3.4782 10.5109 7.0468 5.3147 9.6448 6.1808 7.9128 7.0468 7.9128 4.4487 5.3147 7.0468 8.7788 3.5827 8.7788 8.7788 7.9128 8.7788 2.6691 9.6448 7.9128 2 2.5 7.9128 9.6448 8.7788 4.8472 4.0502 6.1808 7.3759 6.5098 9.3158 7.9128 9.3158 2.5402 7.3759 1.3834 2.2478 10.1818 8.7788 -2.7445 1.25 3.25 -2.75 -0.25 -1.25 -0.25 -1.75 -1.25 -1.25 -1.75 -2.75 -1.75 -1.75 0.25 1.25 -3.25 -2.75 -1.3433 1.75 1.75 -2.0864 -2.9524 2.75 2.75 3.25 -0.7751 -0.7751 -0.63 0.06 -3.06 -1.44 -3.87 -3.06 -0.7368 1.44 -2.0216 -3.5188 3.06 3.87 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 8 8 9 12 13 14 16 16 17 19 20 21 22 24 25 14 23 9 12 13 17 18 19 20 21 18 22 25 24 23 26 26 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 508 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B318040000000000000000000000000012000000030600000000000000001D000001F04100000000C0885D808B0C182C000088C0225525000830080250A104888190074C8086032E09591942108609400E8C9871888008E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,5-difluoro-N-[2-[[2-(2-thienyl)acetyl]amino]phenyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,5-difluoro-N-[2-[(1-oxo-2-thiophen-2-ylethyl)amino]phenyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,5-difluoro-<I>N</I>-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,5-difluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,5-bis(fluoranyl)-N-[2-(2-thiophen-2-ylethanoylamino)phenyl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,5-difluoro-N-[2-[[2-(2-thienyl)acetyl]amino]phenyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H14F2N2O2S/c20-12-7-8-15(21)14(10-12)19(25)23-17-6-2-1-5-16(17)22-18(24)11-13-4-3-9-26-13/h1-10H,11H2,(H,22,24)(H,23,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NWHPBFZZWKVWBC-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 2021.05.07 372.07440519 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H14F2N2O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)NC(=O)CC2=CC=CS2)NC(=O)C3=C(C=CC(=C3)F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)NC(=O)CC2=CC=CS2)NC(=O)C3=C(C=CC(=C3)F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 86.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.07440519 26 0 0 0 0 0 0 0 1 -1