2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide

C11H10Br2F3NO2 — CID 103193041

IUPAC2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide
SMILESCCC(Br)C(=O)Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C11H10Br2F3NO2/c1-2-7(13)10(18)17-8-4-3-6(12)5-9(8)19-11(14,15)16/h3-5,7H,2H2,1H3,(H,17,18)
InChIKeyFZSVLXPBFQBHKP-UHFFFAOYSA-N
MW405.01 g/mol
LogP4.46
Rot. Bonds4

About 2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide

2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide (PubChem CID 103193041) has the molecular formula C11H10Br2F3NO2 and a molecular weight of 405.01 g/mol. Its IUPAC name is 2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide
PubChem CID103193041
Molecular FormulaC11H10Br2F3NO2
Molecular Weight405.01 g/mol
Exact Mass402.90
IUPAC Name2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide
SMILESCCC(Br)C(=O)Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C11H10Br2F3NO2/c1-2-7(13)10(18)17-8-4-3-6(12)5-9(8)19-11(14,15)16/h3-5,7H,2H2,1H3,(H,17,18)
InChIKeyFZSVLXPBFQBHKP-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.01
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454
2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide
CID 103193350
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-cyano-3-methylbutanamide
CID 103193410
2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide
CID 103193279
4-bromo-N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192902
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propoxyacetamide
CID 103275037
2-bromo-N-(2,5-dibromophenyl)butanamide
CID 62856561
3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide
CID 103193341
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
1-[4-bromo-2-(trifluoromethoxy)phenyl]-3-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)urea
CID 123231356
2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide
CID 103193211

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide (CID 103193041) is 2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide is CCC(Br)C(=O)Nc1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is FZSVLXPBFQBHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2F3NO2/c1-2-7(13)10(18)17-8-4-3-6(12)5-9(8)19-11(14,15)16/h3-5,7H,2H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide?
2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 405.01 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 103193041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).