N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide

C26H32F4N2O2 — CID 11670194

IUPACN-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)cc(-c2cc(C(F)(F)F)ccc2F)n1CCC1CCOCC1
InChIInChI=1S/C26H32F4N2O2/c1-17-21(25(33)31-20-5-3-2-4-6-20)16-24(32(17)12-9-18-10-13-34-14-11-18)22-15-19(26(28,29)30)7-8-23(22)27/h7-8,15-16,18,20H,2-6,9-14H2,1H3,(H,31,33)
InChIKeyCIBJIAMKLAMVDV-UHFFFAOYSA-N
MW480.55 g/mol
LogP6.50
Rot. Bonds6

About N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide

N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide (PubChem CID 11670194) 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]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide
PubChem CID11670194
Molecular FormulaC26H32F4N2O2
Molecular Weight480.55 g/mol
Exact Mass480.24
IUPAC NameN-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)cc(-c2cc(C(F)(F)F)ccc2F)n1CCC1CCOCC1
InChIInChI=1S/C26H32F4N2O2/c1-17-21(25(33)31-20-5-3-2-4-6-20)16-24(32(17)12-9-18-10-13-34-14-11-18)22-15-19(26(28,29)30)7-8-23(22)27/h7-8,15-16,18,20H,2-6,9-14H2,1H3,(H,31,33)
InChIKeyCIBJIAMKLAMVDV-UHFFFAOYSA-N
XLogP6.50
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.55
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide
CID 58999142
5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
CID 11669950
5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 58998986
N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide
CID 58998959
[(2S)-2-[[5-[2,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylcarbamoyl)-2-methylpyrrol-1-yl]methyl]pyrrolidin-1-yl] tert-butyl carbonate
CID 87659988
N-cyclohexyl-1-(cyclohexylmethyl)-5-(5-fluoro-2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 58999057
[5-[2,5-bis(trifluoromethyl)phenyl]-1-(2-cyclopropylethyl)-2-methylpyrrol-3-yl] N-[(1R,2R)-2-hydroxycyclohexyl]carbamate
CID 87667474
N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
CID 154183333
[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-[2-tert-butyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
CID 71581820
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
N-cyclopentyl-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691228

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide (CID 11670194) is N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide is Cc1c(C(=O)NC2CCCCC2)cc(-c2cc(C(F)(F)F)ccc2F)n1CCC1CCOCC1.
What is the InChIKey of N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide?
The InChIKey is CIBJIAMKLAMVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F4N2O2/c1-17-21(25(33)31-20-5-3-2-4-6-20)16-24(32(17)12-9-18-10-13-34-14-11-18)22-15-19(26(28,29)30)7-8-23(22)27/h7-8,15-16,18,20H,2-6,9-14H2,1H3,(H,31,33).
What are the key properties of N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide?
N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 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]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide is sourced from PubChem (CID 11670194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).