71777 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 17 9 9 9 9 9 9 9 9 8 8 8 7 7 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 2 3 4 5 6 7 8 9 10 11 11 12 13 14 14 14 15 15 15 16 16 16 18 18 19 19 21 22 22 24 26 26 26 28 29 30 30 31 31 32 21 23 16 17 17 20 20 20 28 29 17 18 25 27 19 25 36 25 27 37 17 20 33 21 22 23 24 24 23 34 35 27 28 29 30 31 32 38 32 39 40 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 2 2 1 1 1 1 16 3 17 20 33 3 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 6.4641 3 2.134 4.366 3.366 3 2 4 8.1962 4.732 4.732 6.4641 7.3301 4.732 5.5981 3 3.866 4.732 4.732 3 5.5981 3.866 3.866 5.5981 5.5981 6.4641 6.4641 7.3301 5.5981 7.3301 5.5981 6.4641 3 3.3291 6.135 4.1951 5.0611 7.8671 5.0611 6.4641 -2 0 -3.5 -4.366 -2.634 -6 -5 -5 4 4 -3 1 2.5 1 2.5 -4 -3.5 -2 -0 -5 -1.5 -1.5 -0.5 -0.5 1.5 4 3 4.5 4.5 5.5 5.5 6 -3.38 -1.81 -0.19 1.31 2.81 5.81 5.81 6.62 3 8 8 8 8 8 8 8 8 8 8 8 8 16 18 18 19 19 21 22 26 26 28 29 30 31 3 21 22 23 24 24 23 28 29 30 31 32 32 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 677 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 11 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B31C0060000000000000000000000000000000000306000000000000000014000001F02100000000C0E81983831C682C00400880225525000820800252740088801066FC88C2633C5B79BC63928ECD53348E927B8C8008E00401001020008100080200204001020000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluoro-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)anilino]-oxomethyl]-2,6-difluorobenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[2,5-bis(chloranyl)-4-[1,1,2,3,3,3-hexakis(fluoranyl)propoxy]phenyl]carbamoyl]-2,6-bis(fluoranyl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluoro-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PWPJGUXAGUPAHP-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 509.9784228 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H8Cl2F8N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 511.1 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 67.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 509.9784228 32 1 0 1 0 0 0 0 1 -1