(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C13H15F3N2O — CID 66478130

IUPAC(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C13H15F3N2O/c1-8-4-5-9(13(14,15)16)7-11(8)18-12(19)10-3-2-6-17-10/h4-5,7,10,17H,2-3,6H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyMLRZQFDJQSNDLK-JTQLQIEISA-N
MW272.27 g/mol
LogP2.70
Rot. Bonds2

About (2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 66478130) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is (2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID66478130
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C13H15F3N2O/c1-8-4-5-9(13(14,15)16)7-11(8)18-12(19)10-3-2-6-17-10/h4-5,7,10,17H,2-3,6H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyMLRZQFDJQSNDLK-JTQLQIEISA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 103808490
(2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide
CID 143190840
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119674019
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 166355925
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065
(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 104912791
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119706448
N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 61179515

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 66478130) is (2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is MLRZQFDJQSNDLK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-8-4-5-9(13(14,15)16)7-11(8)18-12(19)10-3-2-6-17-10/h4-5,7,10,17H,2-3,6H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 272.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 66478130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).