5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide

C14H16F3N3O — CID 82014244

IUPAC5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3O/c1-9(7-18)2-5-13(21)20-11-4-3-10(8-19)12(6-11)14(15,16)17/h3-4,6,9H,2,5,7,18H2,1H3,(H,20,21)
InChIKeyDIWXCAKFNDQWNF-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.89
Rot. Bonds5

About 5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide

5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide (PubChem CID 82014244) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide
PubChem CID82014244
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3O/c1-9(7-18)2-5-13(21)20-11-4-3-10(8-19)12(6-11)14(15,16)17/h3-4,6,9H,2,5,7,18H2,1H3,(H,20,21)
InChIKeyDIWXCAKFNDQWNF-UHFFFAOYSA-N
XLogP2.89
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide 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-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 65483769
(3S)-5-[4-cyano-3-(trifluoromethyl)anilino]-3-methyl-5-oxopentanoic acid
CID 129392471
N-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide
CID 79193474
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 65483573
5-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]pentanamide
CID 107910213
3-[4-cyano-3-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 65484763
2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]butanamide
CID 65483963
(2S)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 90327805
4-[(5-amino-4-methylpentanoyl)amino]benzoic acid
CID 82011492
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxy-3-methylbutyl)urea
CID 154749442
(2R)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide;2-methylpropanamide
CID 159924354
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 96518172

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide?
The IUPAC name of 5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide (CID 82014244) is 5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide is CC(CN)CCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide?
The InChIKey is DIWXCAKFNDQWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-9(7-18)2-5-13(21)20-11-4-3-10(8-19)12(6-11)14(15,16)17/h3-4,6,9H,2,5,7,18H2,1H3,(H,20,21).
What are the key properties of 5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide?
5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide has a molecular weight of 299.30 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 82014244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).