2,4-dibromo-N-heptan-2-ylbenzamide

C14H19Br2NO — CID 114019926

IUPAC2,4-dibromo-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2NO/c1-3-4-5-6-10(2)17-14(18)12-8-7-11(15)9-13(12)16/h7-10H,3-6H2,1-2H3,(H,17,18)
InChIKeyIHCFRFMYCWLFTI-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.91
Rot. Bonds6

About 2,4-dibromo-N-heptan-2-ylbenzamide

2,4-dibromo-N-heptan-2-ylbenzamide (PubChem CID 114019926) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 2,4-dibromo-N-heptan-2-ylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-heptan-2-ylbenzamide
PubChem CID114019926
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name2,4-dibromo-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2NO/c1-3-4-5-6-10(2)17-14(18)12-8-7-11(15)9-13(12)16/h7-10H,3-6H2,1-2H3,(H,17,18)
InChIKeyIHCFRFMYCWLFTI-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dibromo-N-heptan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-hydroxy-N-octan-2-ylbenzamide
CID 55223939
5-bromo-2-fluoro-N-octan-2-ylbenzamide
CID 55222984
3-[(2,4-dibromobenzoyl)amino]butanoic acid
CID 107937736
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 103883078
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825
5-bromo-2-fluoro-N-pentan-2-ylbenzamide
CID 24700042
5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490373
4-bromo-N-butan-2-yl-2-hydroxybenzamide
CID 47435868
methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
CID 103882309

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-heptan-2-ylbenzamide?
The IUPAC name of 2,4-dibromo-N-heptan-2-ylbenzamide (CID 114019926) is 2,4-dibromo-N-heptan-2-ylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-heptan-2-ylbenzamide?
The canonical SMILES for 2,4-dibromo-N-heptan-2-ylbenzamide is CCCCCC(C)NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-heptan-2-ylbenzamide?
The InChIKey is IHCFRFMYCWLFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-3-4-5-6-10(2)17-14(18)12-8-7-11(15)9-13(12)16/h7-10H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2,4-dibromo-N-heptan-2-ylbenzamide?
2,4-dibromo-N-heptan-2-ylbenzamide has a molecular weight of 377.12 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-heptan-2-ylbenzamide is sourced from PubChem (CID 114019926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).