2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide

C14H18Br2ClNO — CID 107941541

IUPAC2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide
SMILESCC(C)(C)CC(Cl)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H18Br2ClNO/c1-14(2,3)7-10(17)8-18-13(19)11-5-4-9(15)6-12(11)16/h4-6,10H,7-8H2,1-3H3,(H,18,19)
InChIKeyPVEMPIBLJMPCRV-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.99
Rot. Bonds4

About 2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide

2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide (PubChem CID 107941541) has the molecular formula C14H18Br2ClNO and a molecular weight of 411.57 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide
PubChem CID107941541
Molecular FormulaC14H18Br2ClNO
Molecular Weight411.57 g/mol
Exact Mass408.94
IUPAC Name2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide
SMILESCC(C)(C)CC(Cl)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H18Br2ClNO/c1-14(2,3)7-10(17)8-18-13(19)11-5-4-9(15)6-12(11)16/h4-6,10H,7-8H2,1-3H3,(H,18,19)
InChIKeyPVEMPIBLJMPCRV-UHFFFAOYSA-N
XLogP4.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dibromo-N-(2-chloro-4,4-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

2,4-dibromo-N-(2-chloropentyl)benzamide
CID 107941412
2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide
CID 107157131
2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103883047
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103883092
2,5-dibromo-N-(2-chlorobutyl)benzamide
CID 114375877
2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide
CID 103885609
3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
CID 107938123
5-bromo-N-(2-chloro-4-methylpentyl)-2-iodobenzamide
CID 114032738
4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide
CID 107156635
2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474107
N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
CID 106164860
2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 103882658

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide (CID 107941541) is 2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide is CC(C)(C)CC(Cl)CNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide?
The InChIKey is PVEMPIBLJMPCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2ClNO/c1-14(2,3)7-10(17)8-18-13(19)11-5-4-9(15)6-12(11)16/h4-6,10H,7-8H2,1-3H3,(H,18,19).
What are the key properties of 2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide?
2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide has a molecular weight of 411.57 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide is sourced from PubChem (CID 107941541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).