(2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide

C14H16F3N3O2 — CID 143897244

IUPAC(2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)9-3-5-10(6-4-9)19-8-12(21)20-7-1-2-11(20)13(18)22/h3-6,11,19H,1-2,7-8H2,(H2,18,22)/t11-/m0/s1
InChIKeyVJMGUEQFJQFFFZ-NSHDSACASA-N
MW315.29 g/mol
LogP1.59
Rot. Bonds4

About (2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide

(2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 143897244) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.29 g/mol. Its IUPAC name is (2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide
PubChem CID143897244
Molecular FormulaC14H16F3N3O2
Molecular Weight315.29 g/mol
Exact Mass315.12
IUPAC Name(2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)9-3-5-10(6-4-9)19-8-12(21)20-7-1-2-11(20)13(18)22/h3-6,11,19H,1-2,7-8H2,(H2,18,22)/t11-/m0/s1
InChIKeyVJMGUEQFJQFFFZ-NSHDSACASA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-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

1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
CID 60860590
ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen
CID 143897546
1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 150068062
1-(2-anilinoacetyl)piperidine-2-carboxamide
CID 54940061
(2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 124606525
1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone
CID 108996185
(2R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 78920281
(2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide
CID 95339539
N-carbamoyl-2-[4-(trifluoromethyl)anilino]acetamide
CID 26507967
2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide
CID 95330469
1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119355979
4-[[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]benzonitrile
CID 126832113

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide (CID 143897244) is (2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)CNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is VJMGUEQFJQFFFZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H16F3N3O2/c15-14(16,17)9-3-5-10(6-4-9)19-8-12(21)20-7-1-2-11(20)13(18)22/h3-6,11,19H,1-2,7-8H2,(H2,18,22)/t11-/m0/s1.
What are the key properties of (2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 315.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143897244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).