44564345 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 8 8 8 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 2 3 3 4 5 5 5 6 6 6 7 7 7 8 9 9 11 11 13 13 14 14 15 15 16 16 17 17 18 19 19 20 20 22 23 23 23 24 24 24 10 12 21 24 22 8 22 27 8 10 11 9 10 13 12 12 14 15 16 17 25 18 26 19 28 20 29 18 30 31 21 32 21 33 23 34 35 36 37 38 39 2 2 1 1 2 1 1 1 2 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 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 6.3301 6.3301 2 5.4641 4.5981 5.4641 7.1962 5.4641 7.1962 6.3301 4.5981 6.3301 8.0901 8.0901 4.5981 3.732 8.9962 8.9962 3.732 2.866 2.866 4.5981 3.732 2 8.0829 8.0829 4.0611 5.135 3.732 9.5319 9.5319 3.732 2.3291 4.042 3.1951 3.422 1.38 2 2.62 -1.5 2.5 -2 3 1.5 -0 -0 1 1 -0.5 -0.5 1.5 -0.5347 1.5347 -1.5 -0 -0.0208 1.0208 -2 -0.5 -1.5 2.5 3 -3 -1.1546 2.1546 1.19 -1.81 0.62 -0.3329 1.3329 -2.62 -0.19 3.5369 3.31 2.4631 -3 -3.62 -3 8 8 8 8 8 8 8 8 8 8 8 8 7 7 9 11 11 13 14 15 16 17 19 20 9 13 14 15 16 17 18 19 20 18 21 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 572 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07A3800000000000000000000000000000000000000306080000000000000814000001E00100000000C0C819802320682C004008802A55250000208002420000888018608C80C263284B53B84312024D41188A9C799C9E08EA0000000001000004000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-(4-methoxyphenyl)-1,4-dioxo-2-naphthyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-(4-methoxyphenyl)-1,4-dioxo-2-naphthalenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[3-(4-methoxyphenyl)-1,4-dioxonaphthalen-2-yl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-(4-methoxyphenyl)-1,4-dioxonaphthalen-2-yl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-(4-methoxyphenyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1,4-diketo-3-(4-methoxyphenyl)-2-naphthyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H15NO4/c1-11(21)20-17-16(12-7-9-13(24-2)10-8-12)18(22)14-5-3-4-6-15(14)19(17)23/h3-10H,1-2H3,(H,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RZKYGKKKOBLKNQ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.10010796 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H15NO4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 72.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.10010796 24 0 0 0 0 0 0 0 1 -1