4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide

C14H19Br2NO — CID 114149699

IUPAC4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide
SMILESCC(C)(CCCBr)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19Br2NO/c1-14(2,8-3-9-15)10-17-13(18)11-4-6-12(16)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyUMFYCPLXYSMLCM-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.38
Rot. Bonds6

About 4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide

4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide (PubChem CID 114149699) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide
PubChem CID114149699
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide
SMILESCC(C)(CCCBr)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19Br2NO/c1-14(2,8-3-9-15)10-17-13(18)11-4-6-12(16)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyUMFYCPLXYSMLCM-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide 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

3-bromo-N-(5-bromo-2,2-dimethylpentyl)-4-methylbenzamide
CID 106145102
N-(5-bromo-2,2-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 106145651
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide
CID 106145101
2-bromo-N-(5-bromo-2,2-dimethylpentyl)-5-fluorobenzamide
CID 114149717
4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65111325
4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 113090383
4-bromo-N-(4-bromo-2,2-dimethylbutyl)-3-methylbenzamide
CID 114149394
4-[(4-bromobenzoyl)amino]-2,2-dimethylbutanoic acid
CID 114285440
N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide
CID 106140589
N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide
CID 103899537
4-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-methylbenzamide
CID 106144494

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide?
The IUPAC name of 4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide (CID 114149699) is 4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide?
The canonical SMILES for 4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide is CC(C)(CCCBr)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide?
The InChIKey is UMFYCPLXYSMLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-14(2,8-3-9-15)10-17-13(18)11-4-6-12(16)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide?
4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide has a molecular weight of 377.12 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide is sourced from PubChem (CID 114149699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).