N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide

C23H26F4N2O — CID 58998959

IUPACN-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)cc(-c2cccc(C(F)(F)F)c2F)n1CC1CC1
InChIInChI=1S/C23H26F4N2O/c1-14-18(22(30)28-16-6-3-2-4-7-16)12-20(29(14)13-15-10-11-15)17-8-5-9-19(21(17)24)23(25,26)27/h5,8-9,12,15-16H,2-4,6-7,10-11,13H2,1H3,(H,28,30)
InChIKeyICLDODDYFNLTDF-UHFFFAOYSA-N
MW422.47 g/mol
LogP6.09
Rot. Bonds5

About N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide

N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide (PubChem CID 58998959) has the molecular formula C23H26F4N2O and a molecular weight of 422.47 g/mol. Its IUPAC name is N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide
PubChem CID58998959
Molecular FormulaC23H26F4N2O
Molecular Weight422.47 g/mol
Exact Mass422.20
IUPAC NameN-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)cc(-c2cccc(C(F)(F)F)c2F)n1CC1CC1
InChIInChI=1S/C23H26F4N2O/c1-14-18(22(30)28-16-6-3-2-4-7-16)12-20(29(14)13-15-10-11-15)17-8-5-9-19(21(17)24)23(25,26)27/h5,8-9,12,15-16H,2-4,6-7,10-11,13H2,1H3,(H,28,30)
InChIKeyICLDODDYFNLTDF-UHFFFAOYSA-N
XLogP6.09
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.47
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide
CID 58999142
N-cyclohexyl-1-(cyclohexylmethyl)-5-(5-fluoro-2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 58999057
5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 58998986
N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 70948738
N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide
CID 11670194
[(2S)-2-[[5-[2,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylcarbamoyl)-2-methylpyrrol-1-yl]methyl]pyrrolidin-1-yl] tert-butyl carbonate
CID 87659988
5-[3-bromo-4-(dimethylamino)phenyl]-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 58998991
N-cyclohexyl-2,6-bis(trifluoromethyl)benzamide
CID 164895040
1-(cyclohexylmethyl)-5-(2,4-dichloro-5-fluorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylpyrrole-3-carboxamide
CID 58998979
2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide
CID 79884389
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
5-[2-tert-butyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
CID 71581820

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide (CID 58998959) is N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide is Cc1c(C(=O)NC2CCCCC2)cc(-c2cccc(C(F)(F)F)c2F)n1CC1CC1.
What is the InChIKey of N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide?
The InChIKey is ICLDODDYFNLTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4N2O/c1-14-18(22(30)28-16-6-3-2-4-7-16)12-20(29(14)13-15-10-11-15)17-8-5-9-19(21(17)24)23(25,26)27/h5,8-9,12,15-16H,2-4,6-7,10-11,13H2,1H3,(H,28,30).
What are the key properties of N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide?
N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 58998959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).