3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide

C87H88Cl4F5N11O13 — CID 159517028

IUPAC3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(F)(F)c1cc(F)cc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.COc1cccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)NC23CC(C(=O)NCCc4ccncc4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4ccncc4)(C2)C3)ccc1Cl
InChIInChI=1S/C23H21ClF4N2O3.C22H24ClN3O3.C21H21ClFN3O4.C21H22ClN3O3/c1-21(27,28)14-4-13(5-15(25)6-14)8-29-20(32)22-10-23(11-22,12-22)30-19(31)9-33-16-2-3-17(24)18(26)7-16;1-15-10-17(2-3-18(15)23)29-11-19(27)26-22-12-21(13-22,14-22)20(28)25-9-6-16-4-7-24-8-5-16;1-29-18-4-2-3-13(25-18)8-24-19(28)20-10-21(11-20,12-20)26-17(27)9-30-14-5-6-15(22)16(23)7-14;1-14-8-16(2-3-17(14)22)28-10-18(26)25-21-11-20(12-21,13-21)19(27)24-9-15-4-6-23-7-5-15/h2-7H,8-12H2,1H3,(H,29,32)(H,30,31);2-5,7-8,10H,6,9,11-14H2,1H3,(H,25,28)(H,26,27);2-7H,8-12H2,1H3,(H,24,28)(H,26,27);2-8H,9-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyMBIGMPIOYWMLQD-UHFFFAOYSA-N
MW1732.53 g/mol
LogP12.68
Rot. Bonds31

About 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 159517028) has the molecular formula C87H88Cl4F5N11O13 and a molecular weight of 1732.53 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID159517028
Molecular FormulaC87H88Cl4F5N11O13
Molecular Weight1732.53 g/mol
Exact Mass1729.52
IUPAC Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(F)(F)c1cc(F)cc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.COc1cccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)NC23CC(C(=O)NCCc4ccncc4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4ccncc4)(C2)C3)ccc1Cl
InChIInChI=1S/C23H21ClF4N2O3.C22H24ClN3O3.C21H21ClFN3O4.C21H22ClN3O3/c1-21(27,28)14-4-13(5-15(25)6-14)8-29-20(32)22-10-23(11-22,12-22)30-19(31)9-33-16-2-3-17(24)18(26)7-16;1-15-10-17(2-3-18(15)23)29-11-19(27)26-22-12-21(13-22,14-22)20(28)25-9-6-16-4-7-24-8-5-16;1-29-18-4-2-3-13(25-18)8-24-19(28)20-10-21(11-20,12-20)26-17(27)9-30-14-5-6-15(22)16(23)7-14;1-14-8-16(2-3-17(14)22)28-10-18(26)25-21-11-20(12-21,13-21)19(27)24-9-15-4-6-23-7-5-15/h2-7H,8-12H2,1H3,(H,29,32)(H,30,31);2-5,7-8,10H,6,9,11-14H2,1H3,(H,25,28)(H,26,27);2-7H,8-12H2,1H3,(H,24,28)(H,26,27);2-8H,9-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyMBIGMPIOYWMLQD-UHFFFAOYSA-N
XLogP12.68
TPSA317.62 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds31
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001732.53
LogP ≤ 512.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide with MolForge

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Related Compounds

3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one
CID 123947560
bis(3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide);3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 157175022
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 157586687
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[6-(methoxymethyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrazine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 157691069
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 158530339
N-[(4-tert-butylphenyl)methyl]-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(1-pyridin-3-ylethyl)bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-hydroxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.2]octane-1-carboxamide
CID 158770642
N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 158988622
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 159637383
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-2-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 159834982
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide
CID 160382476
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;5-[3-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxopropyl]pyridine-2-carbonitrile;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 161309387
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-hydroxy-2-(methylideneamino)prop-2-enyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;(2R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide
CID 162295121

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide (CID 159517028) is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide is CC(F)(F)c1cc(F)cc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.COc1cccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)NC23CC(C(=O)NCCc4ccncc4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4ccncc4)(C2)C3)ccc1Cl.
What is the InChIKey of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is MBIGMPIOYWMLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF4N2O3.C22H24ClN3O3.C21H21ClFN3O4.C21H22ClN3O3/c1-21(27,28)14-4-13(5-15(25)6-14)8-29-20(32)22-10-23(11-22,12-22)30-19(31)9-33-16-2-3-17(24)18(26)7-16;1-15-10-17(2-3-18(15)23)29-11-19(27)26-22-12-21(13-22,14-22)20(28)25-9-6-16-4-7-24-8-5-16;1-29-18-4-2-3-13(25-18)8-24-19(28)20-10-21(11-20,12-20)26-17(27)9-30-14-5-6-15(22)16(23)7-14;1-14-8-16(2-3-17(14)22)28-10-18(26)25-21-11-20(12-21,13-21)19(27)24-9-15-4-6-23-7-5-15/h2-7H,8-12H2,1H3,(H,29,32)(H,30,31);2-5,7-8,10H,6,9,11-14H2,1H3,(H,25,28)(H,26,27);2-7H,8-12H2,1H3,(H,24,28)(H,26,27);2-8H,9-13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide?
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 1732.53 g/mol, XLogP of 12.68, 31 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 159517028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).