4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide

C156H169Cl9F22N12O24S6 — CID 161431646

IUPAC4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide
SMILESCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H](C)N([C@H](C)c3cc(Cl)cc(Cl)c3)C2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(C(F)(F)F)cc(Cl)c3F)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1F.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(F)(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CC1.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(F)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(C(F)(F)F)cc(Cl)c3F)CC2)cc1F
InChIInChI=1S/C27H30Cl2F2N2O4S.C27H33Cl2FN2O4S.C27H27ClF6N2O4S.C25H28Cl2F2N2O4S.C25H25ClF6N2O4S.C25H26ClF5N2O4S/c1-16(18-10-19(28)12-20(29)11-18)33-8-6-27(31,7-9-33)15-37-25-14-24(30)23(13-22(25)17-2-3-17)26(34)32-38(35,36)21-4-5-21;1-4-37(34,35)31-27(33)24-12-23(19-7-8-19)26(13-25(24)30)36-15-18-6-5-16(2)32(14-18)17(3)20-9-21(28)11-22(29)10-20;28-21-10-17(27(32,33)34)9-16(24(21)30)13-36-7-5-26(31,6-8-36)14-40-23-12-22(29)20(11-19(23)15-1-2-15)25(37)35-41(38,39)18-3-4-18;1-15(17-9-18(26)11-19(27)10-17)31-7-5-25(29,6-8-31)14-35-23-13-22(28)21(12-20(23)16-3-4-16)24(32)30-36(2,33)34;1-39(36,37)33-23(35)18-10-17(14-2-3-14)21(11-20(18)27)38-13-24(29)4-6-34(7-5-24)12-15-8-16(25(30,31)32)9-19(26)22(15)28;1-38(35,36)32-23(34)19-11-18(15-2-3-15)22(12-21(19)27)37-14-24(28)6-8-33(9-7-24)13-16-10-17(26)4-5-20(16)25(29,30)31/h10-14,16-17,21H,2-9,15H2,1H3,(H,32,34);9-13,16-19H,4-8,14-15H2,1-3H3,(H,31,33);9-12,15,18H,1-8,13-14H2,(H,35,37);9-13,15-16H,3-8,14H2,1-2H3,(H,30,32);8-11,14H,2-7,12-13H2,1H3,(H,33,35);4-5,10-12,15H,2-3,6-9,13-14H2,1H3,(H,32,34)/t16-;16-,17-,18-;;15-;;/m01.0../s1
InChIKeyVYCATVFKJWCOGB-XWAXAMGOSA-N
MW3525.56 g/mol
LogP35.30
Rot. Bonds51

About 4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide

4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide (PubChem CID 161431646) has the molecular formula C156H169Cl9F22N12O24S6 and a molecular weight of 3525.56 g/mol. Its IUPAC name is 4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide
PubChem CID161431646
Molecular FormulaC156H169Cl9F22N12O24S6
Molecular Weight3525.56 g/mol
Exact Mass3518.75
IUPAC Name4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide
SMILESCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H](C)N([C@H](C)c3cc(Cl)cc(Cl)c3)C2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(C(F)(F)F)cc(Cl)c3F)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1F.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(F)(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CC1.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(F)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(C(F)(F)F)cc(Cl)c3F)CC2)cc1F
InChIInChI=1S/C27H30Cl2F2N2O4S.C27H33Cl2FN2O4S.C27H27ClF6N2O4S.C25H28Cl2F2N2O4S.C25H25ClF6N2O4S.C25H26ClF5N2O4S/c1-16(18-10-19(28)12-20(29)11-18)33-8-6-27(31,7-9-33)15-37-25-14-24(30)23(13-22(25)17-2-3-17)26(34)32-38(35,36)21-4-5-21;1-4-37(34,35)31-27(33)24-12-23(19-7-8-19)26(13-25(24)30)36-15-18-6-5-16(2)32(14-18)17(3)20-9-21(28)11-22(29)10-20;28-21-10-17(27(32,33)34)9-16(24(21)30)13-36-7-5-26(31,6-8-36)14-40-23-12-22(29)20(11-19(23)15-1-2-15)25(37)35-41(38,39)18-3-4-18;1-15(17-9-18(26)11-19(27)10-17)31-7-5-25(29,6-8-31)14-35-23-13-22(28)21(12-20(23)16-3-4-16)24(32)30-36(2,33)34;1-39(36,37)33-23(35)18-10-17(14-2-3-14)21(11-20(18)27)38-13-24(29)4-6-34(7-5-24)12-15-8-16(25(30,31)32)9-19(26)22(15)28;1-38(35,36)32-23(34)19-11-18(15-2-3-15)22(12-21(19)27)37-14-24(28)6-8-33(9-7-24)13-16-10-17(26)4-5-20(16)25(29,30)31/h10-14,16-17,21H,2-9,15H2,1H3,(H,32,34);9-13,16-19H,4-8,14-15H2,1-3H3,(H,31,33);9-12,15,18H,1-8,13-14H2,(H,35,37);9-13,15-16H,3-8,14H2,1-2H3,(H,30,32);8-11,14H,2-7,12-13H2,1H3,(H,33,35);4-5,10-12,15H,2-3,6-9,13-14H2,1H3,(H,32,34)/t16-;16-,17-,18-;;15-;;/m01.0../s1
InChIKeyVYCATVFKJWCOGB-XWAXAMGOSA-N
XLogP35.30
TPSA454.26 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds51
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003525.56
LogP ≤ 535.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide?
The IUPAC name of 4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide (CID 161431646) is 4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide.
What is the SMILES notation for 4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide?
The canonical SMILES for 4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide is CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H](C)N([C@H](C)c3cc(Cl)cc(Cl)c3)C2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(C(F)(F)F)cc(Cl)c3F)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1F.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(F)(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CC1.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(F)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(C(F)(F)F)cc(Cl)c3F)CC2)cc1F.
What is the InChIKey of 4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide?
The InChIKey is VYCATVFKJWCOGB-XWAXAMGOSA-N. The full InChI is InChI=1S/C27H30Cl2F2N2O4S.C27H33Cl2FN2O4S.C27H27ClF6N2O4S.C25H28Cl2F2N2O4S.C25H25ClF6N2O4S.C25H26ClF5N2O4S/c1-16(18-10-19(28)12-20(29)11-18)33-8-6-27(31,7-9-33)15-37-25-14-24(30)23(13-22(25)17-2-3-17)26(34)32-38(35,36)21-4-5-21;1-4-37(34,35)31-27(33)24-12-23(19-7-8-19)26(13-25(24)30)36-15-18-6-5-16(2)32(14-18)17(3)20-9-21(28)11-22(29)10-20;28-21-10-17(27(32,33)34)9-16(24(21)30)13-36-7-5-26(31,6-8-36)14-40-23-12-22(29)20(11-19(23)15-1-2-15)25(37)35-41(38,39)18-3-4-18;1-15(17-9-18(26)11-19(27)10-17)31-7-5-25(29,6-8-31)14-35-23-13-22(28)21(12-20(23)16-3-4-16)24(32)30-36(2,33)34;1-39(36,37)33-23(35)18-10-17(14-2-3-14)21(11-20(18)27)38-13-24(29)4-6-34(7-5-24)12-15-8-16(25(30,31)32)9-19(26)22(15)28;1-38(35,36)32-23(34)19-11-18(15-2-3-15)22(12-21(19)27)37-14-24(28)6-8-33(9-7-24)13-16-10-17(26)4-5-20(16)25(29,30)31/h10-14,16-17,21H,2-9,15H2,1H3,(H,32,34);9-13,16-19H,4-8,14-15H2,1-3H3,(H,31,33);9-12,15,18H,1-8,13-14H2,(H,35,37);9-13,15-16H,3-8,14H2,1-2H3,(H,30,32);8-11,14H,2-7,12-13H2,1H3,(H,33,35);4-5,10-12,15H,2-3,6-9,13-14H2,1H3,(H,32,34)/t16-;16-,17-,18-;;15-;;/m01.0../s1.
What are the key properties of 4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide?
4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide has a molecular weight of 3525.56 g/mol, XLogP of 35.30, 51 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide is sourced from PubChem (CID 161431646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).