2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide

C13H16BrF3N2O — CID 60690595

IUPAC2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H16BrF3N2O/c1-8(2)19(3)12(20)7-18-9-4-5-11(14)10(6-9)13(15,16)17/h4-6,8,18H,7H2,1-3H3
InChIKeyAWKZTHOORAGGTC-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.75
Rot. Bonds4

About 2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide

2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide (PubChem CID 60690595) has the molecular formula C13H16BrF3N2O and a molecular weight of 353.18 g/mol. Its IUPAC name is 2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide
PubChem CID60690595
Molecular FormulaC13H16BrF3N2O
Molecular Weight353.18 g/mol
Exact Mass352.04
IUPAC Name2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H16BrF3N2O/c1-8(2)19(3)12(20)7-18-9-4-5-11(14)10(6-9)13(15,16)17/h4-6,8,18H,7H2,1-3H3
InChIKeyAWKZTHOORAGGTC-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 104777465
N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 54940880
N-[2-[4-bromo-3-(trifluoromethyl)anilino]ethyl]acetamide
CID 103604165
ethyl 2-[4-bromo-3-(trifluoromethyl)anilino]propanoate
CID 64853962
2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide
CID 28879230
2-[4-bromo-3-(trifluoromethyl)anilino]propanamide
CID 60672750
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide
CID 62727569
2-[[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913394
methyl 3-[4-bromo-3-(trifluoromethyl)anilino]butanoate
CID 64853587
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110890752
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62852165
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 86913452

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide (CID 60690595) is 2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CNc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is AWKZTHOORAGGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2O/c1-8(2)19(3)12(20)7-18-9-4-5-11(14)10(6-9)13(15,16)17/h4-6,8,18H,7H2,1-3H3.
What are the key properties of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide?
2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 353.18 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 60690595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).