1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide

C26H34F2N2O2 — CID 58999035

IUPAC1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NC[C@H]2CCCC[C@H]2O)cc(-c2cc(F)ccc2F)n1CC1CCCCC1
InChIInChI=1S/C26H34F2N2O2/c1-17-21(26(32)29-15-19-9-5-6-10-25(19)31)14-24(22-13-20(27)11-12-23(22)28)30(17)16-18-7-3-2-4-8-18/h11-14,18-19,25,31H,2-10,15-16H2,1H3,(H,29,32)/t19-,25-/m1/s1
InChIKeyDSUGJQOZJBPWIK-KBMIEXCESA-N
MW444.57 g/mol
LogP5.60
Rot. Bonds6

About 1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide

1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide (PubChem CID 58999035) has the molecular formula C26H34F2N2O2 and a molecular weight of 444.57 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide
PubChem CID58999035
Molecular FormulaC26H34F2N2O2
Molecular Weight444.57 g/mol
Exact Mass444.26
IUPAC Name1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NC[C@H]2CCCC[C@H]2O)cc(-c2cc(F)ccc2F)n1CC1CCCCC1
InChIInChI=1S/C26H34F2N2O2/c1-17-21(26(32)29-15-19-9-5-6-10-25(19)31)14-24(22-13-20(27)11-12-23(22)28)30(17)16-18-7-3-2-4-8-18/h11-14,18-19,25,31H,2-10,15-16H2,1H3,(H,29,32)/t19-,25-/m1/s1
InChIKeyDSUGJQOZJBPWIK-KBMIEXCESA-N
XLogP5.60
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.57
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide with MolForge

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Related Compounds

1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide
CID 58999025
N-cyclohexyl-1-(cyclohexylmethyl)-5-(5-fluoro-2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 58999057
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
N-butyl-1-(cyclohexylmethyl)-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 10022081
N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide
CID 58999142
1-(cyclohexylmethyl)-5-(2,4-dichloro-5-fluorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylpyrrole-3-carboxamide
CID 58998979
5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 58998986
5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 142919716
N-butyl-1-(cyclohexylmethyl)-5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 10004068
5-fluoro-N-[(2-hydroxycyclopentyl)methyl]-2-methoxybenzamide
CID 111464236
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 64929794
5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
CID 11669950

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide (CID 58999035) is 1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide is Cc1c(C(=O)NC[C@H]2CCCC[C@H]2O)cc(-c2cc(F)ccc2F)n1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide?
The InChIKey is DSUGJQOZJBPWIK-KBMIEXCESA-N. The full InChI is InChI=1S/C26H34F2N2O2/c1-17-21(26(32)29-15-19-9-5-6-10-25(19)31)14-24(22-13-20(27)11-12-23(22)28)30(17)16-18-7-3-2-4-8-18/h11-14,18-19,25,31H,2-10,15-16H2,1H3,(H,29,32)/t19-,25-/m1/s1.
What are the key properties of 1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide?
1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide has a molecular weight of 444.57 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 58999035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).