4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide

C12H14ClF3N2O — CID 80542425

IUPAC4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H14ClF3N2O/c1-7(4-5-17)11(19)18-10-6-8(12(14,15)16)2-3-9(10)13/h2-3,6-7H,4-5,17H2,1H3,(H,18,19)
InChIKeyUTHNIQOYHRHTLX-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.28
Rot. Bonds4

About 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide

4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide (PubChem CID 80542425) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide
PubChem CID80542425
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H14ClF3N2O/c1-7(4-5-17)11(19)18-10-6-8(12(14,15)16)2-3-9(10)13/h2-3,6-7H,4-5,17H2,1H3,(H,18,19)
InChIKeyUTHNIQOYHRHTLX-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-[2-chloro-5-(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

(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545
2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 24690259
2-(aminomethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 65225734
4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 80542056
(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
CID 107143843
4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide
CID 80542109
4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide
CID 104727116
4-chloro-3-[[2-methyl-3-[4-(trifluoromethyl)phenyl]propanoyl]amino]benzoic acid
CID 141007959
[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)propanoate
CID 3275818
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542320
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylsulfanylpropanamide
CID 7820937

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide (CID 80542425) is 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide is CC(CCN)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide?
The InChIKey is UTHNIQOYHRHTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-7(4-5-17)11(19)18-10-6-8(12(14,15)16)2-3-9(10)13/h2-3,6-7H,4-5,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide?
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide has a molecular weight of 294.70 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide is sourced from PubChem (CID 80542425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).