5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide

C26H34ClFN2O — CID 58998986

IUPAC5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC3CCCCC3)c(C)n2CC2CCCCC2)c(F)cc1Cl
InChIInChI=1S/C26H34ClFN2O/c1-17-13-22(24(28)15-23(17)27)25-14-21(26(31)29-20-11-7-4-8-12-20)18(2)30(25)16-19-9-5-3-6-10-19/h13-15,19-20H,3-12,16H2,1-2H3,(H,29,31)
InChIKeyAUVJKTCZZCBYEJ-UHFFFAOYSA-N
MW445.02 g/mol
LogP7.21
Rot. Bonds5

About 5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide

5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide (PubChem CID 58998986) has the molecular formula C26H34ClFN2O and a molecular weight of 445.02 g/mol. Its IUPAC name is 5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
PubChem CID58998986
Molecular FormulaC26H34ClFN2O
Molecular Weight445.02 g/mol
Exact Mass444.23
IUPAC Name5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC3CCCCC3)c(C)n2CC2CCCCC2)c(F)cc1Cl
InChIInChI=1S/C26H34ClFN2O/c1-17-13-22(24(28)15-23(17)27)25-14-21(26(31)29-20-11-7-4-8-12-20)18(2)30(25)16-19-9-5-3-6-10-19/h13-15,19-20H,3-12,16H2,1-2H3,(H,29,31)
InChIKeyAUVJKTCZZCBYEJ-UHFFFAOYSA-N
XLogP7.21
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.02
LogP ≤ 57.21
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
1-(cyclohexylmethyl)-5-(2,4-dichloro-5-fluorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylpyrrole-3-carboxamide
CID 58998979
N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide
CID 58998959
N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 70948738
N'-butyl-5-(5-chloro-2-methoxy-4-methylphenyl)-1-(cyclohexylmethyl)-N'-ethyl-2-methylpyrrole-3-carbohydrazide
CID 70985602
N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide
CID 11670194
1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide
CID 58999025
1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide
CID 58999035
5-[3-bromo-4-(dimethylamino)phenyl]-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 58998991
5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 142919716
5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide
CID 17067296

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide (CID 58998986) is 5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide is Cc1cc(-c2cc(C(=O)NC3CCCCC3)c(C)n2CC2CCCCC2)c(F)cc1Cl.
What is the InChIKey of 5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is AUVJKTCZZCBYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClFN2O/c1-17-13-22(24(28)15-23(17)27)25-14-21(26(31)29-20-11-7-4-8-12-20)18(2)30(25)16-19-9-5-3-6-10-19/h13-15,19-20H,3-12,16H2,1-2H3,(H,29,31).
What are the key properties of 5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 445.02 g/mol, XLogP of 7.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 58998986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).