N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C16H19F3N2O2 — CID 113188517

IUPACN-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C16H19F3N2O2/c1-2-3-8-20-15(23)11-9-14(22)21(10-11)13-7-5-4-6-12(13)16(17,18)19/h4-7,11H,2-3,8-10H2,1H3,(H,20,23)
InChIKeyCRTDFXVDRWVOSM-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.97
Rot. Bonds5

About N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 113188517) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID113188517
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C16H19F3N2O2/c1-2-3-8-20-15(23)11-9-14(22)21(10-11)13-7-5-4-6-12(13)16(17,18)19/h4-7,11H,2-3,8-10H2,1H3,(H,20,23)
InChIKeyCRTDFXVDRWVOSM-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]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

1-(2-ethylphenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 45020940
1-(2-ethylphenyl)-5-oxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide
CID 55934019
N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188241
N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188537
5-oxo-N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188552
N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188588
N-(3,5-dimethylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188582
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
N-cycloheptyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188564
N-[2-(ethylamino)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119507215
1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191264
N-(3-chloropropyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080703

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 113188517) is N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CCCCNC(=O)C1CC(=O)N(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is CRTDFXVDRWVOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-2-3-8-20-15(23)11-9-14(22)21(10-11)13-7-5-4-6-12(13)16(17,18)19/h4-7,11H,2-3,8-10H2,1H3,(H,20,23).
What are the key properties of N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 113188517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).