2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide

C12H14BrF3N2O2 — CID 103193211

IUPAC2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C12H14BrF3N2O2/c1-7(2)18-11(19)6-17-9-4-3-8(13)5-10(9)20-12(14,15)16/h3-5,7,17H,6H2,1-2H3,(H,18,19)
InChIKeyYKWHLXRXQKEXPH-UHFFFAOYSA-N
MW355.15 g/mol
LogP3.28
Rot. Bonds5

About 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide

2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide (PubChem CID 103193211) has the molecular formula C12H14BrF3N2O2 and a molecular weight of 355.15 g/mol. Its IUPAC name is 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide
PubChem CID103193211
Molecular FormulaC12H14BrF3N2O2
Molecular Weight355.15 g/mol
Exact Mass354.02
IUPAC Name2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C12H14BrF3N2O2/c1-7(2)18-11(19)6-17-9-4-3-8(13)5-10(9)20-12(14,15)16/h3-5,7,17H,6H2,1-2H3,(H,18,19)
InChIKeyYKWHLXRXQKEXPH-UHFFFAOYSA-N
XLogP3.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide
CID 103193135
3-[4-bromo-2-(trifluoromethoxy)anilino]-2-methylpropanamide
CID 103193128
2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide
CID 28572367
3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide
CID 103193272
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103193670
4-bromo-N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192902
methyl 3-[4-bromo-2-(trifluoromethoxy)anilino]-2-hydroxy-2-methylpropanoate
CID 103193251
4-bromo-N-(3,3-dimethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192792
4-bromo-N-prop-2-ynyl-2-(trifluoromethoxy)aniline
CID 103192759
4-bromo-N-(3-methylbut-2-enyl)-2-(trifluoromethoxy)aniline
CID 107900413
2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide
CID 103193041
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-(prop-2-ynylamino)acetamide
CID 103193297

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide (CID 103193211) is 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide?
The InChIKey is YKWHLXRXQKEXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2O2/c1-7(2)18-11(19)6-17-9-4-3-8(13)5-10(9)20-12(14,15)16/h3-5,7,17H,6H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide?
2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide has a molecular weight of 355.15 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 103193211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).