1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C20H25F3N2O2 — CID 55741414

IUPAC1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN2C(=O)C2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C20H25F3N2O2/c1-13-9-10-15(12-16(13)20(21,22)23)24-18(26)17-8-5-11-25(17)19(27)14-6-3-2-4-7-14/h9-10,12,14,17H,2-8,11H2,1H3,(H,24,26)
InChIKeyWIJCLZLFPLDPFE-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.52
Rot. Bonds3

About 1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 55741414) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID55741414
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN2C(=O)C2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C20H25F3N2O2/c1-13-9-10-15(12-16(13)20(21,22)23)24-18(26)17-8-5-11-25(17)19(27)14-6-3-2-4-7-14/h9-10,12,14,17H,2-8,11H2,1H3,(H,24,26)
InChIKeyWIJCLZLFPLDPFE-UHFFFAOYSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131898261
1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 60531568
1-(cyclohexanecarbonyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrrolidine-2-carboxamide
CID 55947181
N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 55741021
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 51951158
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
N-(3,4-dimethylphenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 3619605
(2R)-2-N-(3,4-dimethylphenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51684738
ethyl 3-[4-[[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]prop-2-enoate
CID 55759244
1-(cyclohexanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170922
N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55773022

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 55741414) is 1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)C2CCCN2C(=O)C2CCCCC2)cc1C(F)(F)F.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is WIJCLZLFPLDPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O2/c1-13-9-10-15(12-16(13)20(21,22)23)24-18(26)17-8-5-11-25(17)19(27)14-6-3-2-4-7-14/h9-10,12,14,17H,2-8,11H2,1H3,(H,24,26).
What are the key properties of 1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55741414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).