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

C13H16BrF3N2O2 — CID 103193350

IUPAC2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C13H16BrF3N2O2/c1-3-12(18,4-2)11(20)19-9-6-5-8(14)7-10(9)21-13(15,16)17/h5-7H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyXCPBAUHDTMMJOQ-UHFFFAOYSA-N
MW369.18 g/mol
LogP3.80
Rot. Bonds5

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

2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide (PubChem CID 103193350) has the molecular formula C13H16BrF3N2O2 and a molecular weight of 369.18 g/mol. Its IUPAC name is 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide
PubChem CID103193350
Molecular FormulaC13H16BrF3N2O2
Molecular Weight369.18 g/mol
Exact Mass368.03
IUPAC Name2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C13H16BrF3N2O2/c1-3-12(18,4-2)11(20)19-9-6-5-8(14)7-10(9)21-13(15,16)17/h5-7H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyXCPBAUHDTMMJOQ-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propoxyacetamide
CID 103275037
2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide
CID 103193041
3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide
CID 103193341
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103193670
methyl 4-[[4-bromo-2-(trifluoromethoxy)phenyl]carbamoyl]benzoate
CID 99793528
3-[4-bromo-2-(trifluoromethoxy)anilino]-2-methylpropanamide
CID 103193128
2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide
CID 103193279
5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 103193605
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-(prop-2-ynylamino)acetamide
CID 103193297
3-[[4-bromo-2-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 103193516
1-[4-bromo-2-(trifluoromethoxy)phenyl]-3-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)urea
CID 123231356
2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide
CID 103193135

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide?
The IUPAC name of 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide (CID 103193350) is 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide is CCC(N)(CC)C(=O)Nc1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide?
The InChIKey is XCPBAUHDTMMJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2O2/c1-3-12(18,4-2)11(20)19-9-6-5-8(14)7-10(9)21-13(15,16)17/h5-7H,3-4,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide?
2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide has a molecular weight of 369.18 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide is sourced from PubChem (CID 103193350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).