2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide

C12H14BrF3N2O2 — CID 103193135

IUPAC2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C12H14BrF3N2O2/c1-2-5-17-11(19)7-18-9-4-3-8(13)6-10(9)20-12(14,15)16/h3-4,6,18H,2,5,7H2,1H3,(H,17,19)
InChIKeyIQKNDVWYJROBTQ-UHFFFAOYSA-N
MW355.15 g/mol
LogP3.29
Rot. Bonds6

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

2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide (PubChem CID 103193135) 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-propylacetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide
PubChem CID103193135
Molecular FormulaC12H14BrF3N2O2
Molecular Weight355.15 g/mol
Exact Mass354.02
IUPAC Name2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C12H14BrF3N2O2/c1-2-5-17-11(19)7-18-9-4-3-8(13)6-10(9)20-12(14,15)16/h3-4,6,18H,2,5,7H2,1H3,(H,17,19)
InChIKeyIQKNDVWYJROBTQ-UHFFFAOYSA-N
XLogP3.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide
CID 103193211
2-[3-bromo-4-(trifluoromethoxy)anilino]-N-propylacetamide
CID 107336196
3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide
CID 103193272
4-bromo-N-(3,3-dimethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192792
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propoxyacetamide
CID 103275037
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103193670
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 61487652
4-bromo-N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192902
2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide
CID 103193350
methyl 3-[4-bromo-2-(trifluoromethoxy)anilino]-2-hydroxy-2-methylpropanoate
CID 103193251
4-bromo-N-(3-methylsulfonylpropyl)-2-(trifluoromethoxy)aniline
CID 103193082
4-bromo-N-prop-2-ynyl-2-(trifluoromethoxy)aniline
CID 103192759

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide?
The IUPAC name of 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide (CID 103193135) is 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide.
What is the SMILES notation for 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide?
The canonical SMILES for 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide is CCCNC(=O)CNc1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide?
The InChIKey is IQKNDVWYJROBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2O2/c1-2-5-17-11(19)7-18-9-4-3-8(13)6-10(9)20-12(14,15)16/h3-4,6,18H,2,5,7H2,1H3,(H,17,19).
What are the key properties of 2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide?
2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide has a molecular weight of 355.15 g/mol, XLogP of 3.29, 6 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-propylacetamide is sourced from PubChem (CID 103193135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).