2-bromo-N-(2,5-dibromophenyl)butanamide

C10H10Br3NO — CID 62856561

IUPAC2-bromo-N-(2,5-dibromophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C10H10Br3NO/c1-2-7(12)10(15)14-9-5-6(11)3-4-8(9)13/h3-5,7H,2H2,1H3,(H,14,15)
InChIKeyDZXUSAJACZIHEN-UHFFFAOYSA-N
MW399.91 g/mol
LogP4.32
Rot. Bonds3

About 2-bromo-N-(2,5-dibromophenyl)butanamide

2-bromo-N-(2,5-dibromophenyl)butanamide (PubChem CID 62856561) has the molecular formula C10H10Br3NO and a molecular weight of 399.91 g/mol. Its IUPAC name is 2-bromo-N-(2,5-dibromophenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(2,5-dibromophenyl)butanamide
PubChem CID62856561
Molecular FormulaC10H10Br3NO
Molecular Weight399.91 g/mol
Exact Mass396.83
IUPAC Name2-bromo-N-(2,5-dibromophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C10H10Br3NO/c1-2-7(12)10(15)14-9-5-6(11)3-4-8(9)13/h3-5,7H,2H2,1H3,(H,14,15)
InChIKeyDZXUSAJACZIHEN-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea
CID 51945845
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
2-bromo-N-(6-bromonaphthalen-2-yl)butanamide
CID 81260484
2-bromo-N-(2-bromo-4-iodophenyl)butanamide
CID 130498554
2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide
CID 103193041
2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide
CID 43714180
2-[[(2,5-dibromophenyl)carbamoylamino]methyl]butanoic acid
CID 65223594
2-amino-N-(2,5-dibromophenyl)-3,3-dimethylbutanamide
CID 76887880
(2S)-2-[(2,5-dibromophenyl)carbamoylamino]pentanoic acid
CID 107566463
N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide
CID 60842016
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,5-dibromophenyl)butanamide?
The IUPAC name of 2-bromo-N-(2,5-dibromophenyl)butanamide (CID 62856561) is 2-bromo-N-(2,5-dibromophenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(2,5-dibromophenyl)butanamide?
The canonical SMILES for 2-bromo-N-(2,5-dibromophenyl)butanamide is CCC(Br)C(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of 2-bromo-N-(2,5-dibromophenyl)butanamide?
The InChIKey is DZXUSAJACZIHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br3NO/c1-2-7(12)10(15)14-9-5-6(11)3-4-8(9)13/h3-5,7H,2H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(2,5-dibromophenyl)butanamide?
2-bromo-N-(2,5-dibromophenyl)butanamide has a molecular weight of 399.91 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,5-dibromophenyl)butanamide is sourced from PubChem (CID 62856561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).