bis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate

C190H203Cl12F20N18O34S8-7 — CID 157100329

IUPACbis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate
SMILESCS(=O)[O-].CS(=O)[O-].CS(=O)[O-].CS(=O)[O-].NC(=O)c1cc(C2CC2)c(CN2CC(Oc3cc(Cl)cc(Cl)c3)C2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CC(Oc3cc(Cl)cc(Cl)c3)C2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)cc3Cl)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)cc3Cl)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2[C@@H]3CC[C@H]2CC(Oc2cc(C(F)(F)F)c(Cl)cn2)C3)cc1F.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CN(c3cc(C(F)(F)F)c(Cl)cn3)C2)cc1F.O=S([O-])C1CC1.O=S([O-])C1CC1.O=S([O-])C1CC1
InChIInChI=1S/C24H24ClF4N3O2.C23H22ClF4N3O4S.2C23H23ClF4N2O3.2C22H23Cl2FN2O2.2C20H19Cl2FN2O2.3C3H6O2S.4CH4O2S/c25-20-10-31-22(9-19(20)24(27,28)29)34-16-6-14-3-4-15(7-16)32(14)11-13-5-21(26)18(23(30)33)8-17(13)12-1-2-12;24-18-8-29-21(6-17(18)23(26,27)28)31-9-12(10-31)11-35-20-7-19(25)16(5-15(20)13-1-2-13)22(32)30-36(33,34)14-3-4-14;2*24-15-8-17(10-18(9-15)33-23(26,27)28)32-16-3-5-30(6-4-16)12-14-7-21(25)20(22(29)31)11-19(14)13-1-2-13;2*23-15-3-4-21(19(24)10-15)29-16-5-7-27(8-6-16)12-14-9-20(25)18(22(26)28)11-17(14)13-1-2-13;2*21-13-4-14(22)6-15(5-13)27-16-9-25(10-16)8-12-3-19(23)18(20(24)26)7-17(12)11-1-2-11;3*4-6(5)3-1-2-3;4*1-4(2)3/h5,8-10,12,14-16H,1-4,6-7,11H2,(H2,30,33);5-8,12-14H,1-4,9-11H2,(H,30,32);2*7-11,13,16H,1-6,12H2,(H2,29,31);2*3-4,9-11,13,16H,1-2,5-8,12H2,(H2,26,28);2*3-7,11,16H,1-2,8-10H2,(H2,24,26);3*3H,1-2H2,(H,4,5);4*1H3,(H,2,3)/p-7/t14-,15+,16?;;;;;;;;;;;;;;
InChIKeyNFPZBIMCIYJKAQ-CIXZYGPDSA-G
MW4344.74 g/mol
LogP37.86
Rot. Bonds55

About bis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate

bis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate (PubChem CID 157100329) has the molecular formula C190H203Cl12F20N18O34S8-7 and a molecular weight of 4344.74 g/mol. Its IUPAC name is bis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate.

Molecular Properties

Compound Namebis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate
PubChem CID157100329
Molecular FormulaC190H203Cl12F20N18O34S8-7
Molecular Weight4344.74 g/mol
Exact Mass4335.85
IUPAC Namebis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate
SMILESCS(=O)[O-].CS(=O)[O-].CS(=O)[O-].CS(=O)[O-].NC(=O)c1cc(C2CC2)c(CN2CC(Oc3cc(Cl)cc(Cl)c3)C2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CC(Oc3cc(Cl)cc(Cl)c3)C2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)cc3Cl)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)cc3Cl)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2[C@@H]3CC[C@H]2CC(Oc2cc(C(F)(F)F)c(Cl)cn2)C3)cc1F.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CN(c3cc(C(F)(F)F)c(Cl)cn3)C2)cc1F.O=S([O-])C1CC1.O=S([O-])C1CC1.O=S([O-])C1CC1
InChIInChI=1S/C24H24ClF4N3O2.C23H22ClF4N3O4S.2C23H23ClF4N2O3.2C22H23Cl2FN2O2.2C20H19Cl2FN2O2.3C3H6O2S.4CH4O2S/c25-20-10-31-22(9-19(20)24(27,28)29)34-16-6-14-3-4-15(7-16)32(14)11-13-5-21(26)18(23(30)33)8-17(13)12-1-2-12;24-18-8-29-21(6-17(18)23(26,27)28)31-9-12(10-31)11-35-20-7-19(25)16(5-15(20)13-1-2-13)22(32)30-36(33,34)14-3-4-14;2*24-15-8-17(10-18(9-15)33-23(26,27)28)32-16-3-5-30(6-4-16)12-14-7-21(25)20(22(29)31)11-19(14)13-1-2-13;2*23-15-3-4-21(19(24)10-15)29-16-5-7-27(8-6-16)12-14-9-20(25)18(22(26)28)11-17(14)13-1-2-13;2*21-13-4-14(22)6-15(5-13)27-16-9-25(10-16)8-12-3-19(23)18(20(24)26)7-17(12)11-1-2-11;3*4-6(5)3-1-2-3;4*1-4(2)3/h5,8-10,12,14-16H,1-4,6-7,11H2,(H2,30,33);5-8,12-14H,1-4,9-11H2,(H,30,32);2*7-11,13,16H,1-6,12H2,(H2,29,31);2*3-4,9-11,13,16H,1-2,5-8,12H2,(H2,26,28);2*3-7,11,16H,1-2,8-10H2,(H2,24,26);3*3H,1-2H2,(H,4,5);4*1H3,(H,2,3)/p-7/t14-,15+,16?;;;;;;;;;;;;;;
InChIKeyNFPZBIMCIYJKAQ-CIXZYGPDSA-G
XLogP37.86
TPSA789.78 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds55
Heavy Atoms282
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004344.74
LogP ≤ 537.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Analyze bis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate with MolForge

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Related Compounds

acetic acid;4-[[4-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate
CID 159248175
cyclopropanesulfinate;5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide
CID 169426454
5-cyclopropyl-N-cyclopropylsulfonyl-4-[[3-(3,5-dichlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-fluorobenzamide
CID 118359733
4-[[(1R,5S)-3-[3-chloro-5-(trifluoromethoxy)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 118353624
4-[[(5S)-3-[3-chloro-5-(trifluoromethoxy)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzoic acid
CID 144850034
4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide
CID 118120750
4-[[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide
CID 118120201
bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate
CID 159136887
4-[[(2S,4S)-4-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-ethylpiperidin-1-yl]methyl]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 144850847
5-cyclopropyl-4-[[(5S)-3-(3,5-dichlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-fluorobenzoic acid
CID 126732930
4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate
CID 162010436
tert-butyl 5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzoate
CID 118110666

Frequently Asked Questions

What is the IUPAC name of bis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate?
The IUPAC name of bis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate (CID 157100329) is bis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate.
What is the SMILES notation for bis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate?
The canonical SMILES for bis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate is CS(=O)[O-].CS(=O)[O-].CS(=O)[O-].CS(=O)[O-].NC(=O)c1cc(C2CC2)c(CN2CC(Oc3cc(Cl)cc(Cl)c3)C2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CC(Oc3cc(Cl)cc(Cl)c3)C2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)cc3Cl)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)cc3Cl)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2[C@@H]3CC[C@H]2CC(Oc2cc(C(F)(F)F)c(Cl)cn2)C3)cc1F.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CN(c3cc(C(F)(F)F)c(Cl)cn3)C2)cc1F.O=S([O-])C1CC1.O=S([O-])C1CC1.O=S([O-])C1CC1.
What is the InChIKey of bis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate?
The InChIKey is NFPZBIMCIYJKAQ-CIXZYGPDSA-G. The full InChI is InChI=1S/C24H24ClF4N3O2.C23H22ClF4N3O4S.2C23H23ClF4N2O3.2C22H23Cl2FN2O2.2C20H19Cl2FN2O2.3C3H6O2S.4CH4O2S/c25-20-10-31-22(9-19(20)24(27,28)29)34-16-6-14-3-4-15(7-16)32(14)11-13-5-21(26)18(23(30)33)8-17(13)12-1-2-12;24-18-8-29-21(6-17(18)23(26,27)28)31-9-12(10-31)11-35-20-7-19(25)16(5-15(20)13-1-2-13)22(32)30-36(33,34)14-3-4-14;2*24-15-8-17(10-18(9-15)33-23(26,27)28)32-16-3-5-30(6-4-16)12-14-7-21(25)20(22(29)31)11-19(14)13-1-2-13;2*23-15-3-4-21(19(24)10-15)29-16-5-7-27(8-6-16)12-14-9-20(25)18(22(26)28)11-17(14)13-1-2-13;2*21-13-4-14(22)6-15(5-13)27-16-9-25(10-16)8-12-3-19(23)18(20(24)26)7-17(12)11-1-2-11;3*4-6(5)3-1-2-3;4*1-4(2)3/h5,8-10,12,14-16H,1-4,6-7,11H2,(H2,30,33);5-8,12-14H,1-4,9-11H2,(H,30,32);2*7-11,13,16H,1-6,12H2,(H2,29,31);2*3-4,9-11,13,16H,1-2,5-8,12H2,(H2,26,28);2*3-7,11,16H,1-2,8-10H2,(H2,24,26);3*3H,1-2H2,(H,4,5);4*1H3,(H,2,3)/p-7/t14-,15+,16?;;;;;;;;;;;;;;.
What are the key properties of bis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate?
bis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate has a molecular weight of 4344.74 g/mol, XLogP of 37.86, 55 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[[4-[3-chloro-5-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);4-[[1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[(1R,5S)-3-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[3-(3,5-dichlorophenoxy)azetidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate is sourced from PubChem (CID 157100329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).