2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide

C13H16BrF3N2O — CID 79809856

IUPAC2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H16BrF3N2O/c1-3-12(18,4-2)11(20)19-8-5-6-10(14)9(7-8)13(15,16)17/h5-7H,3-4,18H2,1-2H3,(H,19,20)
InChIKeySJJGTBYIKVUMKZ-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.92
Rot. Bonds4

About 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide

2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide (PubChem CID 79809856) has the molecular formula C13H16BrF3N2O and a molecular weight of 353.18 g/mol. Its IUPAC name is 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
PubChem CID79809856
Molecular FormulaC13H16BrF3N2O
Molecular Weight353.18 g/mol
Exact Mass352.04
IUPAC Name2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H16BrF3N2O/c1-3-12(18,4-2)11(20)19-8-5-6-10(14)9(7-8)13(15,16)17/h5-7H,3-4,18H2,1-2H3,(H,19,20)
InChIKeySJJGTBYIKVUMKZ-UHFFFAOYSA-N
XLogP3.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 115431722
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide
CID 81083146
2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide
CID 79813242
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62852165
methyl 2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112617350
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride
CID 119955848
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbut-2-enamide
CID 42997959
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide
CID 62727569
N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 13411359
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
CID 66817245
cis-(1S,2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 8919754

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide?
The IUPAC name of 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide (CID 79809856) is 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide is CCC(N)(CC)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide?
The InChIKey is SJJGTBYIKVUMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2O/c1-3-12(18,4-2)11(20)19-8-5-6-10(14)9(7-8)13(15,16)17/h5-7H,3-4,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide?
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide has a molecular weight of 353.18 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide is sourced from PubChem (CID 79809856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).