2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C12H13F3N2O — CID 140707313

IUPAC2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)9-5-3-8(4-6-9)10-2-1-7-17(10)11(16)18/h3-6,10H,1-2,7H2,(H2,16,18)
InChIKeyLMIOHYMKFQURAP-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.92
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 140707313) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID140707313
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)9-5-3-8(4-6-9)10-2-1-7-17(10)11(16)18/h3-6,10H,1-2,7H2,(H2,16,18)
InChIKeyLMIOHYMKFQURAP-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-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

pyridin-4-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669976
tert-butyl 2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 102106848
2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide
CID 94819890
pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669963
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone
CID 119288426
2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone
CID 171086663
(2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 52516414
3-cyclopentylsulfonyl-1-[(2S)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one
CID 52525260
4-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]benzenesulfonamide
CID 146570704
2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate
CID 61067662
2-(4-nitrophenyl)-1-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 97318167

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 140707313) is 2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is NC(=O)N1CCCC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is LMIOHYMKFQURAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)9-5-3-8(4-6-9)10-2-1-7-17(10)11(16)18/h3-6,10H,1-2,7H2,(H2,16,18).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 140707313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).