3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide

C11H12BrF3N2O2 — CID 103193272

IUPAC3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide
SMILESCNC(=O)CCNc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C11H12BrF3N2O2/c1-16-10(18)4-5-17-8-3-2-7(12)6-9(8)19-11(13,14)15/h2-3,6,17H,4-5H2,1H3,(H,16,18)
InChIKeyGNCLVXGELQRBHR-UHFFFAOYSA-N
MW341.13 g/mol
LogP2.90
Rot. Bonds5

About 3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide

3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide (PubChem CID 103193272) has the molecular formula C11H12BrF3N2O2 and a molecular weight of 341.13 g/mol. Its IUPAC name is 3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide
PubChem CID103193272
Molecular FormulaC11H12BrF3N2O2
Molecular Weight341.13 g/mol
Exact Mass340.00
IUPAC Name3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide
SMILESCNC(=O)CCNc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C11H12BrF3N2O2/c1-16-10(18)4-5-17-8-3-2-7(12)6-9(8)19-11(13,14)15/h2-3,6,17H,4-5H2,1H3,(H,16,18)
InChIKeyGNCLVXGELQRBHR-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.13
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3,3-dimethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192792
2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide
CID 103193135
2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide
CID 103193211
4-bromo-N-(3-methylsulfonylpropyl)-2-(trifluoromethoxy)aniline
CID 103193082
4-bromo-N-(3-methoxy-3-methylbutyl)-2-(trifluoromethoxy)aniline
CID 103193196
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103193670
3-[[4-bromo-2-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 103193516
methyl 3-[4-bromo-2-(trifluoromethoxy)anilino]-2-hydroxy-2-methylpropanoate
CID 103193251
4-bromo-N-prop-2-ynyl-2-(trifluoromethoxy)aniline
CID 103192759
4-bromo-N-(3-methylbut-2-enyl)-2-(trifluoromethoxy)aniline
CID 107900413
3-[4-bromo-2-(trifluoromethoxy)anilino]-2-methylpropanamide
CID 103193128
4-bromo-N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192902

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide?
The IUPAC name of 3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide (CID 103193272) is 3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide.
What is the SMILES notation for 3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide?
The canonical SMILES for 3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide is CNC(=O)CCNc1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide?
The InChIKey is GNCLVXGELQRBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O2/c1-16-10(18)4-5-17-8-3-2-7(12)6-9(8)19-11(13,14)15/h2-3,6,17H,4-5H2,1H3,(H,16,18).
What are the key properties of 3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide?
3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide has a molecular weight of 341.13 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide is sourced from PubChem (CID 103193272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).