3241723 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 43 44 45 17 8 8 8 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 1 1 1 1 2 2 3 3 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 14 15 15 17 17 18 19 19 19 20 20 20 21 21 22 22 23 23 24 25 25 26 24 9 12 15 21 16 7 19 20 8 16 33 10 11 13 14 15 17 13 27 14 28 16 18 29 30 31 32 18 34 35 36 37 38 39 40 41 22 23 24 42 25 43 26 26 44 45 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 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 42 43 44 45 4.7752 4.5411 4.4131 4.5981 2.866 2.866 2.866 2.866 4.232 2 3.732 3.732 2 3.732 4.8198 3.732 3.232 2.923 2 3.732 5.0009 4.5942 5.9954 5.1819 6.5832 6.1765 1.4631 4.269 1.4631 4.269 5.2505 5.3338 2.3291 2.8676 2.3334 1.69 1.4631 2.31 3.422 4.269 4.042 3.9775 6.2476 7.1998 6.5409 6.3533 0.2345 2.9081 -1.8533 -5.8533 -1.8533 -4.8533 -2.8533 1.1856 -4.3533 -4.3533 -0.3533 -3.3533 -3.3533 1.9946 -1.3533 1.1856 0.2345 -6.3533 -6.3533 3.7172 4.6307 3.6126 5.4397 4.4216 5.3352 -4.6633 -4.6633 -3.0433 -3.0433 1.5486 2.3413 -1.5433 1.6872 0.0429 -5.8163 -6.6633 -6.8902 -6.8902 -6.6633 -5.8163 4.6955 3.0462 4.3568 5.8368 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 7 7 8 8 9 10 11 12 17 21 21 22 23 24 25 9 12 10 11 13 14 17 13 14 18 18 22 23 24 25 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 454 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 1 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 00000371E07B300004000000000000000000000000012000000030600000000000000001D000001E0210000000080EA1902632C683C004408800A5525002820800252700088801CE6EC80F2632C5B7BF873928E4D411DAE987987F0E6000008001000000000001000200000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[(3-chlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[(3-chlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]-2-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[(3-chlorophenoxy)methyl]-<I>N</I>-[4-(dimethylamino)phenyl]furan-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[(3-chlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[(3-chloranylphenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[(3-chlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]-2-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H19ClN2O3/c1-23(2)16-8-6-15(7-9-16)22-20(24)19-11-10-18(26-19)13-25-17-5-3-4-14(21)12-17/h3-12H,13H2,1-2H3,(H,22,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BZEQRMREWARERO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 370.1084202 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H19ClN2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 370.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC(=CC=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC(=CC=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 54.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 370.1084202 26 0 0 0 0 0 0 0 1 -1