24982615 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 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 1 1 1 1 1 2 3 3 3 4 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 12 13 13 13 14 14 15 15 17 17 18 18 19 19 20 21 21 22 22 23 24 7 13 16 6 8 25 16 17 34 23 24 9 10 11 12 14 15 11 26 12 27 28 29 16 30 31 18 32 19 33 21 22 20 35 20 36 37 23 38 24 39 40 41 1 1 2 1 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 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 31 32 33 34 35 36 37 38 39 40 41 4.5981 4.5981 4.5981 2.866 2.866 4.5981 4.5981 5.4641 5.4641 3.732 5.4641 3.732 3.732 5.4641 6.3301 3.732 2.866 6.3301 7.1962 7.1962 2 3.732 2 3.732 4.0611 6.001 3.1951 6.001 3.1951 3.52 3.1215 4.9272 6.3301 2.3291 6.3301 7.7331 7.7331 1.4631 4.269 1.4631 4.269 -0.5 -2.5 3.5 -2.5 -5.5 2.5 0.5 4 2 2 1 1 -1 5 3.5 -2 -3.5 5.5 4 5 -4 -4 -5 -5 3.81 2.31 2.31 0.69 0.69 -0.4174 -1.1077 5.31 2.88 -2.19 6.12 3.69 5.31 -3.69 -3.69 -5.31 -5.31 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 7 8 8 9 10 14 15 17 17 18 19 21 22 23 24 9 10 11 12 14 15 11 12 18 19 21 22 20 20 23 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 371 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003C608000000000000001D000001E0010000000080CE192063CC692C81400A8003577540282882031222008D8207E6C980E2662C4F1DF873C28E4D411D8E807B040000000400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-anilinophenoxy)-N-(4-pyridyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-anilinophenoxy)-N-pyridin-4-ylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-anilinophenoxy)-<I>N</I>-pyridin-4-ylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-anilinophenoxy)-N-pyridin-4-ylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-phenylazanylphenoxy)-N-pyridin-4-yl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-anilinophenoxy)-N-(4-pyridyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H17N3O2/c23-19(22-17-10-12-20-13-11-17)14-24-18-8-6-16(7-9-18)21-15-4-2-1-3-5-15/h1-13,21H,14H2,(H,20,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SORXGHAEYOZZEL-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 319.132076794 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H17N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 319.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC2=CC=C(C=C2)OCC(=O)NC3=CC=NC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC2=CC=C(C=C2)OCC(=O)NC3=CC=NC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 63.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 319.132076794 24 0 0 0 0 0 0 0 1 -1