N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide

C13H14F4N2O — CID 102779041

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F4N2O/c1-7-4-5-18-11(7)12(20)19-8-2-3-10(14)9(6-8)13(15,16)17/h2-3,6-7,11,18H,4-5H2,1H3,(H,19,20)
InChIKeyBJBHJJNYJRXKLI-UHFFFAOYSA-N
MW290.26 g/mol
LogP2.78
Rot. Bonds2

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779041) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide
PubChem CID102779041
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F4N2O/c1-7-4-5-18-11(7)12(20)19-8-2-3-10(14)9(6-8)13(15,16)17/h2-3,6-7,11,18H,4-5H2,1H3,(H,19,20)
InChIKeyBJBHJJNYJRXKLI-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-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

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388149
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107068566
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091
N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107067383
ethane;(4S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 177139380
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067123
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 102777495
3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 102779633
2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 102779763
2-bromo-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779861

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide (CID 102779041) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide?
The InChIKey is BJBHJJNYJRXKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O/c1-7-4-5-18-11(7)12(20)19-8-2-3-10(14)9(6-8)13(15,16)17/h2-3,6-7,11,18H,4-5H2,1H3,(H,19,20).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide has a molecular weight of 290.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).