46496207 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 17 8 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 2 3 4 4 5 5 5 6 6 6 7 8 8 9 9 9 10 11 11 12 12 12 13 13 15 17 18 18 19 19 20 20 21 22 22 23 24 24 25 25 26 17 14 16 22 26 8 14 28 7 16 36 23 10 11 10 13 16 27 15 29 14 17 18 15 30 31 19 20 32 21 33 21 34 35 23 24 37 25 38 26 39 40 1 2 2 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 7 -1 6 23 22 37 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 9.6448 8.7788 4.4487 3.4782 7.0468 5.3147 4.4487 7.0468 6.1808 6.1808 7.9128 7.9128 7.0468 7.9128 7.9128 5.3147 8.7788 7.0468 8.7788 7.0468 7.9128 3.5827 4.4487 2.6691 2 2.5 5.6438 6.5098 8.4497 7.0468 8.4497 6.5098 9.3158 6.5098 7.9128 5.8517 4.9856 2.5402 1.3834 2.2478 3.3512 1.8512 -0.6488 -5.1433 1.8512 -2.1488 -2.6488 0.8512 -0.6488 0.3512 0.3512 3.3512 -1.1488 2.3512 -0.6488 -1.1488 3.8512 3.8512 4.8512 4.8512 5.3512 -4.1488 -3.6488 -3.742 -4.4852 -5.3512 0.6612 2.1612 0.6612 -1.7688 -0.9588 3.5412 5.1612 5.1612 5.9712 -2.4588 -3.9588 -3.1356 -4.4204 -5.9176 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 8 8 9 9 11 12 12 13 17 18 19 20 22 24 25 22 26 10 11 10 13 15 17 18 15 19 20 21 21 24 25 26 0 Compound Canonicalized 5 2010.07.16 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 528 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B300004000000000000000000000000012000000030600000000000000001D000001E02180000000C0EE1982630C482E20440A802BD73D0049208002527001A8801266ED80C26B2C5B79B863928E4DC11C8ED879C88008E00000040000100000000008000020000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloro-N-[3-[[(E)-2-furylmethyleneamino]carbamoyl]phenyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloro-N-[3-[[(2E)-2-(2-furanylmethylidene)hydrazinyl]-oxomethyl]phenyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloro-<I>N</I>-[3-[[(<I>E</I>)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloranyl-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloro-N-[3-[[(E)-2-furfurylideneamino]carbamoyl]phenyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H14ClN3O3/c20-17-9-2-1-8-16(17)19(25)22-14-6-3-5-13(11-14)18(24)23-21-12-15-7-4-10-26-15/h1-12H,(H,22,25)(H,23,24)/b21-12+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 AAJGTVXRCUDTNQ-CIAFOILYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.0723690 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H14ClN3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC=CO3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)N/N=C/C3=CC=CO3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 83.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.0723690 26 0 0 0 1 1 0 0 1 -1