(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C13H16ClF3N2O — CID 119275122

IUPAC(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1
InChIInChI=1S/C13H15F3N2O.ClH/c14-13(15,16)10-5-3-9(4-6-10)8-18-12(19)11-2-1-7-17-11;/h3-6,11,17H,1-2,7-8H2,(H,18,19);1H/t11-;/m0./s1
InChIKeyLBDFIESTHUSCBK-MERQFXBCSA-N
MW308.73 g/mol
LogP2.50
Rot. Bonds3

About (2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119275122) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is (2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119275122
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1
InChIInChI=1S/C13H15F3N2O.ClH/c14-13(15,16)10-5-3-9(4-6-10)8-18-12(19)11-2-1-7-17-11;/h3-6,11,17H,1-2,7-8H2,(H,18,19);1H/t11-;/m0./s1
InChIKeyLBDFIESTHUSCBK-MERQFXBCSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride 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

N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119277640
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271349
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119275122) is (2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is LBDFIESTHUSCBK-MERQFXBCSA-N. The full InChI is InChI=1S/C13H15F3N2O.ClH/c14-13(15,16)10-5-3-9(4-6-10)8-18-12(19)11-2-1-7-17-11;/h3-6,11,17H,1-2,7-8H2,(H,18,19);1H/t11-;/m0./s1.
What are the key properties of (2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 308.73 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119275122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).