(2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C17H21F3N2O2 — CID 94592974

IUPAC(2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O2/c1-11(2)16(24)22-9-3-4-14(22)15(23)21-10-12-5-7-13(8-6-12)17(18,19)20/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyVRBNWIQTGLREJW-AWEZNQCLSA-N
MW342.36 g/mol
LogP2.97
Rot. Bonds4

About (2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 94592974) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is (2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID94592974
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name(2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O2/c1-11(2)16(24)22-9-3-4-14(22)15(23)21-10-12-5-7-13(8-6-12)17(18,19)20/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyVRBNWIQTGLREJW-AWEZNQCLSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 162614759
1-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 156794409
N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide
CID 110625860
tert-butyl N-[[4-[[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]methyl]phenyl]methyl]carbamate
CID 70098255
N-[(4-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170385944
(2R)-1-[(3S)-1-(3,3-difluoroazetidin-1-yl)sulfonylpiperidine-3-carbonyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 138466448
2-N-[(4-fluorophenyl)methyl]-1-N,1-N-dimethylpyrrolidine-1,2-dicarboxamide
CID 159386470
[4-[2-[[1-[2-[[4-(aminomethyl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]phenyl] 2,2,2-trifluoroacetate
CID 70093836
1-(2-amino-3,3-dimethylbutanoyl)-N-[(4-prop-1-ynylphenyl)methyl]pyrrolidine-2-carboxamide
CID 170613098
(2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95273896
(2R)-1-[(3S)-1-(3,3-difluoropyrrolidin-1-yl)sulfonylpiperidine-3-carbonyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 138472808
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 111912176

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 94592974) is (2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is VRBNWIQTGLREJW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-11(2)16(24)22-9-3-4-14(22)15(23)21-10-12-5-7-13(8-6-12)17(18,19)20/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 94592974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).