4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide

C12H14ClF3N2O — CID 80542320

IUPAC4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-7(5-6-17)11(19)18-10-8(12(14,15)16)3-2-4-9(10)13/h2-4,7H,5-6,17H2,1H3,(H,18,19)
InChIKeyCPHPRELHJXGBDL-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.28
Rot. Bonds4

About 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide

4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide (PubChem CID 80542320) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide
PubChem CID80542320
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-7(5-6-17)11(19)18-10-8(12(14,15)16)3-2-4-9(10)13/h2-4,7H,5-6,17H2,1H3,(H,18,19)
InChIKeyCPHPRELHJXGBDL-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

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Related Compounds

2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide
CID 65225587
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79204589
4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 80542056
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542425
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948
1-amino-3-[2-chloro-6-(trifluoromethyl)phenyl]urea
CID 43164115
ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]butanoate
CID 64668147
4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide
CID 115564436
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide
CID 55583835
4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide
CID 80543358

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide (CID 80542320) is 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide is CC(CCN)C(=O)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide?
The InChIKey is CPHPRELHJXGBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-7(5-6-17)11(19)18-10-8(12(14,15)16)3-2-4-9(10)13/h2-4,7H,5-6,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide?
4-amino-N-[2-chloro-6-(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-6-(trifluoromethyl)phenyl]-2-methylbutanamide is sourced from PubChem (CID 80542320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).