2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide

C12H14ClF3N2O — CID 79796494

IUPAC2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-3-11(2,17)10(19)18-9-5-4-7(13)6-8(9)12(14,15)16/h4-6H,3,17H2,1-2H3,(H,18,19)
InChIKeyHJEYDLVJDLSJIC-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.42
Rot. Bonds3

About 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide

2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide (PubChem CID 79796494) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide
PubChem CID79796494
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-3-11(2,17)10(19)18-9-5-4-7(13)6-8(9)12(14,15)16/h4-6H,3,17H2,1-2H3,(H,18,19)
InChIKeyHJEYDLVJDLSJIC-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide 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-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103029050
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287302
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide
CID 43650065
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 113229852
2-(aminomethyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide
CID 65225936
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
1-[4-chloro-2-(trifluoromethyl)phenyl]-2-propylguanidine
CID 62379615
1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
ethyl 4-[4-chloro-2-(trifluoromethyl)anilino]-4-oxobutanoate
CID 60660652
2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide
CID 79796935
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-pentylurea
CID 108990788

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide (CID 79796494) is 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide is CCC(C)(N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide?
The InChIKey is HJEYDLVJDLSJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-3-11(2,17)10(19)18-9-5-4-7(13)6-8(9)12(14,15)16/h4-6H,3,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide?
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide has a molecular weight of 294.70 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide is sourced from PubChem (CID 79796494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).