(3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide

C19H23F3N2O2 — CID 96998721

IUPAC(3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)CC1=O
InChIInChI=1S/C19H23F3N2O2/c1-24-11-13(9-16(24)25)17(26)23-12-18(7-2-3-8-18)14-5-4-6-15(10-14)19(20,21)22/h4-6,10,13H,2-3,7-9,11-12H2,1H3,(H,23,26)/t13-/m0/s1
InChIKeyXNYBLPJXQJEDST-ZDUSSCGKSA-N
MW368.40 g/mol
LogP3.11
Rot. Bonds4

About (3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide

(3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 96998721) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is (3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide
PubChem CID96998721
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name(3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)CC1=O
InChIInChI=1S/C19H23F3N2O2/c1-24-11-13(9-16(24)25)17(26)23-12-18(7-2-3-8-18)14-5-4-6-15(10-14)19(20,21)22/h4-6,10,13H,2-3,7-9,11-12H2,1H3,(H,23,26)/t13-/m0/s1
InChIKeyXNYBLPJXQJEDST-ZDUSSCGKSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-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

2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976448
(2S,4S)-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630724
4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
CID 120561385
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea
CID 47955967
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 86876143
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide
CID 119805133
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide
CID 119805139

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide (CID 96998721) is (3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide is CN1C[C@@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)CC1=O.
What is the InChIKey of (3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is XNYBLPJXQJEDST-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c1-24-11-13(9-16(24)25)17(26)23-12-18(7-2-3-8-18)14-5-4-6-15(10-14)19(20,21)22/h4-6,10,13H,2-3,7-9,11-12H2,1H3,(H,23,26)/t13-/m0/s1.
What are the key properties of (3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide?
(3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 96998721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).