2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide

C12H14ClF3N2O — CID 24690259

IUPAC2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H14ClF3N2O/c1-6(2)10(17)11(19)18-9-5-7(12(14,15)16)3-4-8(9)13/h3-6,10H,17H2,1-2H3,(H,18,19)
InChIKeyBEYAXMCSSQBZQZ-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.28
Rot. Bonds3

About 2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide

2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide (PubChem CID 24690259) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
PubChem CID24690259
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H14ClF3N2O/c1-6(2)10(17)11(19)18-9-5-7(12(14,15)16)3-4-8(9)13/h3-6,10H,17H2,1-2H3,(H,18,19)
InChIKeyBEYAXMCSSQBZQZ-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037220
2-amino-N-[2-amino-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 110481478
(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542425
(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
CID 107143843
2-(aminomethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 65225734
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 3259116
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylsulfanylpropanamide
CID 7820937
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide
CID 61178070
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019991
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 2198317
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide (CID 24690259) is 2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide is CC(C)C(N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide?
The InChIKey is BEYAXMCSSQBZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-6(2)10(17)11(19)18-9-5-7(12(14,15)16)3-4-8(9)13/h3-6,10H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide?
2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide has a molecular weight of 294.70 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 24690259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).