(2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide

C21H19F3N2O — CID 143190840

IUPAC(2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C#Cc2ccc(C(F)(F)F)cc2)ccc1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C21H19F3N2O/c1-14-13-16(5-4-15-6-9-17(10-7-15)21(22,23)24)8-11-18(14)26-20(27)19-3-2-12-25-19/h6-11,13,19,25H,2-3,12H2,1H3,(H,26,27)/t19-/m1/s1
InChIKeyZODXQCVNJWAGPE-LJQANCHMSA-N
MW372.39 g/mol
LogP4.10
Rot. Bonds2

About (2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide

(2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 143190840) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is (2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID143190840
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name(2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C#Cc2ccc(C(F)(F)F)cc2)ccc1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C21H19F3N2O/c1-14-13-16(5-4-15-6-9-17(10-7-15)21(22,23)24)8-11-18(14)26-20(27)19-3-2-12-25-19/h6-11,13,19,25H,2-3,12H2,1H3,(H,26,27)/t19-/m1/s1
InChIKeyZODXQCVNJWAGPE-LJQANCHMSA-N
XLogP4.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 66478130
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
(2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide
CID 143190836
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 103808490
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate
CID 43712698
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43710389

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide (CID 143190840) is (2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide is Cc1cc(C#Cc2ccc(C(F)(F)F)cc2)ccc1NC(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is ZODXQCVNJWAGPE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19F3N2O/c1-14-13-16(5-4-15-6-9-17(10-7-15)21(22,23)24)8-11-18(14)26-20(27)19-3-2-12-25-19/h6-11,13,19,25H,2-3,12H2,1H3,(H,26,27)/t19-/m1/s1.
What are the key properties of (2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide?
(2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143190840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).