(2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide

C18H25FN2O — CID 130409697

IUPAC(2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2NCCC2C2CCCCC2)c(F)c1
InChIInChI=1S/C18H25FN2O/c1-12-7-8-16(15(19)11-12)21-18(22)17-14(9-10-20-17)13-5-3-2-4-6-13/h7-8,11,13-14,17,20H,2-6,9-10H2,1H3,(H,21,22)/t14?,17-/m0/s1
InChIKeyOXCXXUITILZHLI-JRZJBTRGSA-N
MW304.41 g/mol
LogP3.63
Rot. Bonds3

About (2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide

(2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 130409697) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID130409697
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name(2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2NCCC2C2CCCCC2)c(F)c1
InChIInChI=1S/C18H25FN2O/c1-12-7-8-16(15(19)11-12)21-18(22)17-14(9-10-20-17)13-5-3-2-4-6-13/h7-8,11,13-14,17,20H,2-6,9-10H2,1H3,(H,21,22)/t14?,17-/m0/s1
InChIKeyOXCXXUITILZHLI-JRZJBTRGSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[[(2S,3R)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-3-fluorobenzoate
CID 118100849
4-[[(2S,3S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-2-fluorobenzoic acid
CID 118101089
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102778964
N-(4-fluoro-2-methylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890355
3-fluoro-4-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779420
N-(2-fluoro-4-nitrophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892807
(2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide
CID 130409737
2-(cyclopentylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60648408
N-(2,5-difluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890193

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide (CID 130409697) is (2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)[C@H]2NCCC2C2CCCCC2)c(F)c1.
What is the InChIKey of (2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is OXCXXUITILZHLI-JRZJBTRGSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-12-7-8-16(15(19)11-12)21-18(22)17-14(9-10-20-17)13-5-3-2-4-6-13/h7-8,11,13-14,17,20H,2-6,9-10H2,1H3,(H,21,22)/t14?,17-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide?
(2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 130409697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).