N-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide

C27H37F3N2O — CID 70948749

IUPACN-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide
SMILESCC1=C(C(=O)NC2CCCCC2)CC(c2ccccc2CC(F)(F)F)N1CC1CCCCC1
InChIInChI=1S/C27H37F3N2O/c1-19-24(26(33)31-22-13-6-3-7-14-22)16-25(32(19)18-20-10-4-2-5-11-20)23-15-9-8-12-21(23)17-27(28,29)30/h8-9,12,15,20,22,25H,2-7,10-11,13-14,16-18H2,1H3,(H,31,33)
InChIKeyIXBVXFOKFOFFIY-UHFFFAOYSA-N
MW462.60 g/mol
LogP6.84
Rot. Bonds6

About N-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide

N-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide (PubChem CID 70948749) has the molecular formula C27H37F3N2O and a molecular weight of 462.60 g/mol. Its IUPAC name is N-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide
PubChem CID70948749
Molecular FormulaC27H37F3N2O
Molecular Weight462.60 g/mol
Exact Mass462.29
IUPAC NameN-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide
SMILESCC1=C(C(=O)NC2CCCCC2)CC(c2ccccc2CC(F)(F)F)N1CC1CCCCC1
InChIInChI=1S/C27H37F3N2O/c1-19-24(26(33)31-22-13-6-3-7-14-22)16-25(32(19)18-20-10-4-2-5-11-20)23-15-9-8-12-21(23)17-27(28,29)30/h8-9,12,15,20,22,25H,2-7,10-11,13-14,16-18H2,1H3,(H,31,33)
InChIKeyIXBVXFOKFOFFIY-UHFFFAOYSA-N
XLogP6.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide
CID 70948795
N-cyclohexyl-3-(2-ethylanilino)propanamide
CID 109014016
N-cycloheptyl-2-(2-ethylanilino)acetamide
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(1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096121
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CID 114199766
N-cyclohexyl-2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetamide
CID 1216809
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide
CID 58998959
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid
CID 121005204
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
1-N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide;2,2,2-trifluoroacetic acid
CID 44530498

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide (CID 70948749) is N-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide is CC1=C(C(=O)NC2CCCCC2)CC(c2ccccc2CC(F)(F)F)N1CC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide?
The InChIKey is IXBVXFOKFOFFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37F3N2O/c1-19-24(26(33)31-22-13-6-3-7-14-22)16-25(32(19)18-20-10-4-2-5-11-20)23-15-9-8-12-21(23)17-27(28,29)30/h8-9,12,15,20,22,25H,2-7,10-11,13-14,16-18H2,1H3,(H,31,33).
What are the key properties of N-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide?
N-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide is sourced from PubChem (CID 70948749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).