55985090 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 41 42 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 6 1 1 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 9 9 9 10 11 11 13 13 14 14 15 15 16 16 17 18 19 20 21 21 22 23 24 24 25 25 26 26 27 17 20 12 19 8 12 30 10 19 33 23 27 10 13 11 12 28 29 14 15 16 17 31 18 32 20 34 21 35 18 36 23 22 22 37 38 24 25 39 26 40 27 41 42 1 1 2 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 1 2 1 1 1 2 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 41 42 8.9282 9.7942 8.9282 4.5981 7.1962 5.4641 2.866 7.1962 8.0622 6.3301 8.9282 8.0622 8.0622 6.3301 8.9282 9.7942 8.0622 7.1962 4.5981 9.7942 10.6603 10.6603 3.732 3.732 2.866 2 2 7.8501 7.4516 6.6592 8.5991 5.7932 5.4641 8.3913 9.7942 7.1962 11.1972 11.1972 4.269 2.866 1.4631 1.4631 -3.75 3.75 -0.75 -3.25 -0.75 -1.75 -2.25 -1.75 0.75 -2.25 1.25 -0.25 -2.25 -3.25 2.25 0.75 -3.25 -3.75 -2.25 2.75 1.25 2.25 -1.75 -0.75 -0.25 -0.75 -1.75 1.3326 0.6423 -0.44 -1.94 -3.56 -1.13 2.56 0.13 -4.37 0.94 2.56 -0.44 0.37 -0.44 -2.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 10 11 11 13 14 15 16 17 20 21 23 24 25 26 23 27 10 13 14 15 16 17 18 20 21 18 22 22 24 25 26 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 520 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B31800000000000000000000000000000000000003C608000000000000001D000001F00100000000C08C19E0C3CC092C81000A8033577540082802037022008D821B874D80860F2C095B1942108609400C8C9871888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-fluoro-2-[[2-(3-fluorophenyl)acetyl]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-(3-fluorophenyl)-1-oxoethyl]amino]phenyl]-2-pyridinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[4-fluoro-2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]pyridine-2-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-fluoro-2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]pyridine-2-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-fluoranyl-2-[2-(3-fluorophenyl)ethanoylamino]phenyl]pyridine-2-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-fluoro-2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]picolinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H15F2N3O2/c21-14-5-3-4-13(10-14)11-19(26)24-18-12-15(22)7-8-16(18)25-20(27)17-6-1-2-9-23-17/h1-10,12H,11H2,(H,24,26)(H,25,27) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MBANCCPUDGDHTH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.11323305 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H15F2N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=NC(=C1)C(=O)NC2=C(C=C(C=C2)F)NC(=O)CC3=CC(=CC=C3)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=NC(=C1)C(=O)NC2=C(C=C(C=C2)F)NC(=O)CC3=CC(=CC=C3)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 2021.05.07 367.11323305 27 0 0 0 0 0 0 0 1 -1