69843175 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 8 7 7 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 2 2 3 3 3 4 4 4 5 5 5 6 7 7 7 8 8 9 10 10 11 12 12 14 14 15 15 16 13 9 15 13 27 28 6 7 8 6 9 10 17 13 18 19 11 20 12 11 21 22 14 23 16 24 16 25 26 2 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 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 4.269 6.001 2.5369 4.269 5.135 4.269 3.403 5.135 5.135 6.001 6.001 4.269 3.403 4.269 6.001 5.135 3.732 3.1909 2.7924 5.135 6.538 6.538 3.732 3.732 6.538 5.135 2.5369 2 -2.94 2.06 -2.94 -0.94 0.56 0.06 -1.44 -1.44 1.56 0.06 -0.94 2.06 -2.44 3.06 3.06 3.56 0.37 -0.8574 -1.5477 -2.06 0.37 -1.25 1.75 3.37 3.37 4.18 -3.56 -2.63 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 5 5 8 9 10 12 14 15 9 15 6 8 6 10 11 12 11 14 16 16 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 242 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07320000000000000000000000000000000000000003C400000000000000001C000001E00100000000C08C19E043C8092481000A8033577540082802031022008D8213864980820F2C09591842008609000C8C8071888C08E00000200000000000000040000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(2-pyridyl)phenyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(2-pyridinyl)phenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3-pyridin-2-ylphenyl)acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3-pyridin-2-ylphenyl)acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3-pyridin-2-ylphenyl)ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(2-pyridyl)phenyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H12N2O/c14-13(16)9-10-4-3-5-11(8-10)12-6-1-2-7-15-12/h1-8H,9H2,(H2,14,16) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JGNXVFMSYKZHQO-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 212.094963011 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H12N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 212.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=NC(=C1)C2=CC=CC(=C2)CC(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=NC(=C1)C2=CC=CC(=C2)CC(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 56 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 212.094963011 16 0 0 0 0 0 0 0 1 -1