3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide

C11H12BrF3N2O — CID 60790963

IUPAC3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide
SMILESCC(CNc1ccc(Br)cc1C(F)(F)F)C(N)=O
InChIInChI=1S/C11H12BrF3N2O/c1-6(10(16)18)5-17-9-3-2-7(12)4-8(9)11(13,14)15/h2-4,6,17H,5H2,1H3,(H2,16,18)
InChIKeyXFSPTEBIZLEVBB-UHFFFAOYSA-N
MW325.13 g/mol
LogP3.00
Rot. Bonds4

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

3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide (PubChem CID 60790963) has the molecular formula C11H12BrF3N2O and a molecular weight of 325.13 g/mol. Its IUPAC name is 3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide.

Molecular Properties

Compound Name3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide
PubChem CID60790963
Molecular FormulaC11H12BrF3N2O
Molecular Weight325.13 g/mol
Exact Mass324.01
IUPAC Name3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide
SMILESCC(CNc1ccc(Br)cc1C(F)(F)F)C(N)=O
InChIInChI=1S/C11H12BrF3N2O/c1-6(10(16)18)5-17-9-3-2-7(12)4-8(9)11(13,14)15/h2-4,6,17H,5H2,1H3,(H2,16,18)
InChIKeyXFSPTEBIZLEVBB-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-bromo-2-(trifluoromethoxy)anilino]-2-methylpropanamide
CID 103193128
1-[4-bromo-2-(trifluoromethyl)anilino]-4,4-dimethylpentan-2-ol
CID 107153157
2-[4-bromo-2-(trifluoromethyl)anilino]-4-methylpentanoic acid
CID 65482829
3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
CID 106171079
methyl 2-[4-bromo-2-(trifluoromethyl)anilino]acetate
CID 60790807
(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 54995593
1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
CID 60886097
ethyl 2-[4-bromo-2-(trifluoromethyl)anilino]pentanoate
CID 83035937
2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 107904014
2-[4-bromo-2-(trifluoromethyl)anilino]pentanoic acid
CID 65484577
(2S)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 61178655
3-[[4-bromo-2-(trifluoromethyl)anilino]methyl]hexan-1-ol
CID 106115734

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide?
The IUPAC name of 3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide (CID 60790963) is 3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide.
What is the SMILES notation for 3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide?
The canonical SMILES for 3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide is CC(CNc1ccc(Br)cc1C(F)(F)F)C(N)=O.
What is the InChIKey of 3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide?
The InChIKey is XFSPTEBIZLEVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O/c1-6(10(16)18)5-17-9-3-2-7(12)4-8(9)11(13,14)15/h2-4,6,17H,5H2,1H3,(H2,16,18).
What are the key properties of 3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide?
3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide has a molecular weight of 325.13 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide is sourced from PubChem (CID 60790963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).