N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide

C26H32F4N2O2 — CID 58999142

IUPACN-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)cc(-c2cc(C(F)(F)F)ccc2F)n1CC1CCC(O)CC1
InChIInChI=1S/C26H32F4N2O2/c1-16-21(25(34)31-19-5-3-2-4-6-19)14-24(32(16)15-17-7-10-20(33)11-8-17)22-13-18(26(28,29)30)9-12-23(22)27/h9,12-14,17,19-20,33H,2-8,10-11,15H2,1H3,(H,31,34)
InChIKeyRCYMNUDRCJBOFI-UHFFFAOYSA-N
MW480.55 g/mol
LogP6.24
Rot. Bonds5

About N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide

N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide (PubChem CID 58999142) has the molecular formula C26H32F4N2O2 and a molecular weight of 480.55 g/mol. Its IUPAC name is N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide
PubChem CID58999142
Molecular FormulaC26H32F4N2O2
Molecular Weight480.55 g/mol
Exact Mass480.24
IUPAC NameN-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)cc(-c2cc(C(F)(F)F)ccc2F)n1CC1CCC(O)CC1
InChIInChI=1S/C26H32F4N2O2/c1-16-21(25(34)31-19-5-3-2-4-6-19)14-24(32(16)15-17-7-10-20(33)11-8-17)22-13-18(26(28,29)30)9-12-23(22)27/h9,12-14,17,19-20,33H,2-8,10-11,15H2,1H3,(H,31,34)
InChIKeyRCYMNUDRCJBOFI-UHFFFAOYSA-N
XLogP6.24
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.55
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide
CID 11670194
N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide
CID 58998959
5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 58998986
5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
CID 11669950
N-cyclohexyl-1-(cyclohexylmethyl)-5-(5-fluoro-2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 58999057
[(2S)-2-[[5-[2,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylcarbamoyl)-2-methylpyrrol-1-yl]methyl]pyrrolidin-1-yl] tert-butyl carbonate
CID 87659988
1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide
CID 58999025
N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 70948738
1-(cyclohexylmethyl)-5-(2,4-dichloro-5-fluorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylpyrrole-3-carboxamide
CID 58998979
5-[3,5-bis(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
CID 58999141
[5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl] N-[(1R,2R)-2-hydroxycyclohexyl]carbamate
CID 69018472
5-[3-bromo-4-(dimethylamino)phenyl]-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 58998991

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide (CID 58999142) is N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide is Cc1c(C(=O)NC2CCCCC2)cc(-c2cc(C(F)(F)F)ccc2F)n1CC1CCC(O)CC1.
What is the InChIKey of N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide?
The InChIKey is RCYMNUDRCJBOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F4N2O2/c1-16-21(25(34)31-19-5-3-2-4-6-19)14-24(32(16)15-17-7-10-20(33)11-8-17)22-13-18(26(28,29)30)9-12-23(22)27/h9,12-14,17,19-20,33H,2-8,10-11,15H2,1H3,(H,31,34).
What are the key properties of N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide?
N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 6.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 58999142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).