55834646 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 9 9 8 8 7 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 2 3 4 5 5 5 6 6 6 7 7 8 8 9 10 10 11 11 12 12 12 14 15 16 17 18 18 19 20 20 21 21 22 23 23 24 24 25 25 26 14 17 13 16 8 13 27 9 16 30 19 26 9 10 11 14 28 15 29 13 17 18 15 31 19 20 21 32 23 22 33 22 34 35 24 36 25 37 26 38 39 1 1 2 2 1 1 1 1 1 1 1 2 2 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 2 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 8.9282 9.7942 8.9282 4.5981 7.1962 5.4641 3.732 7.1962 6.3301 8.0622 6.3301 8.0622 8.0622 8.0622 7.1962 4.5981 8.9282 7.1962 3.732 8.9282 7.1962 8.0622 2.866 2 2 2.866 6.6592 8.5991 5.7932 5.4641 7.1962 6.6592 9.4651 6.6592 8.0622 2.866 1.4631 1.4631 2.866 -3.25 1.25 -0.25 -2.75 -0.25 -1.25 -0.25 -1.25 -1.75 -1.75 -2.75 1.25 0.25 -2.75 -3.25 -1.75 1.75 1.75 -1.25 2.75 2.75 3.25 -1.75 -1.25 -0.25 0.25 0.06 -1.44 -3.06 -0.63 -3.87 1.44 3.06 3.06 3.87 -2.37 -1.56 0.06 0.87 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 10 11 12 12 14 17 18 19 20 21 23 24 25 19 26 9 10 11 14 15 17 18 15 20 21 23 22 22 24 25 26 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 505 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B31800000000000000000000000000000000000003C608000000000000001D000001F00100000000C08C19E0C3CC092C81000A8033577540082802037022008D821B874D80860F2C095B1942108609400C8C9871888008E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-fluoro-2-[(2-fluorobenzoyl)amino]phenyl]pyridine-2-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-fluoro-2-[[(2-fluorophenyl)-oxomethyl]amino]phenyl]-2-pyridinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[4-fluoro-2-[(2-fluorobenzoyl)amino]phenyl]pyridine-2-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-fluoro-2-[(2-fluorobenzoyl)amino]phenyl]pyridine-2-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-fluoranyl-2-[(2-fluorophenyl)carbonylamino]phenyl]pyridine-2-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-fluoro-2-[(2-fluorobenzoyl)amino]phenyl]picolinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H13F2N3O2/c20-12-8-9-15(23-19(26)16-7-3-4-10-22-16)17(11-12)24-18(25)13-5-1-2-6-14(13)21/h1-11H,(H,23,26)(H,24,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VWOZSDAZAZCNDN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 353.09758299 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H13F2N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 353.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)C(=O)NC2=C(C=CC(=C2)F)NC(=O)C3=CC=CC=N3)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)C(=O)NC2=C(C=CC(=C2)F)NC(=O)C3=CC=CC=N3)F 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 2021.05.07 353.09758299 26 0 0 0 0 0 0 0 1 -1