16632617 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 8 8 8 8 7 7 7 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 2 2 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 13 13 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 10 14 22 11 12 8 10 11 9 11 26 12 15 28 12 24 25 10 13 14 27 16 17 18 19 29 20 30 21 31 22 32 23 33 23 34 35 36 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 9 6 10 13 14 27 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 3.9595 7.7511 5.7195 4.5981 4.5981 6.1808 2.866 3.732 5.6808 4.7026 5.5116 3.732 6.0875 7.082 2.866 7.582 2 3.732 8.5602 2 3.732 8.6647 2.866 3.52 3.1215 6.7974 5.7231 2.3291 7.3298 1.4631 4.269 9.0209 1.4631 4.269 9.2016 2.866 2.6204 2.4341 -0.4282 -1.0433 0.9567 1.2931 -1.0433 0.4567 2.1592 1.9513 0.55 -0.5433 3.0727 3.1772 -2.0433 4.0433 -2.5433 -2.5433 3.8354 -3.5433 -3.5433 2.8408 -4.0433 1.0393 0.3491 1.2283 3.5743 -0.7333 4.6097 -2.2333 -2.2333 4.2502 -3.8533 -3.8533 2.5308 -4.6633 8 8 8 8 8 8 8 8 8 8 8 2 2 14 15 15 16 17 18 19 20 21 14 22 16 17 18 19 20 21 22 23 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 525 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B380000000000000000000000000000016240000030000000000000000001C000001E0010000000080CE1900631C483C004408800AD52D0008208002522000888018E6CC88C6632C4B5BB963928ECD733C8E9C79800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4Z)-4-(2-furylmethylene)-2,5-dioxo-imidazolidin-1-yl]-N-phenyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4Z)-4-(2-furanylmethylidene)-2,5-dioxo-1-imidazolidinyl]-N-phenylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4<I>Z</I>)-4-(furan-2-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-<I>N</I>-phenylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4Z)-4-(furan-2-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4Z)-4-(furan-2-ylmethylidene)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-N-phenyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4Z)-4-(2-furfurylidene)-2,5-diketo-imidazolidin-1-yl]-N-phenyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H13N3O4/c20-14(17-11-5-2-1-3-6-11)10-19-15(21)13(18-16(19)22)9-12-7-4-8-23-12/h1-9H,10H2,(H,17,20)(H,18,22)/b13-9- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MEISNECEKDOTRW-LCYFTJDESA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 311.09060590 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H13N3O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 311.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CC3=CC=CO3)NC2=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=CO3)/NC2=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 91.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 311.09060590 23 0 0 0 1 1 0 0 1 -1