2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide

C14H19Br2NO — CID 114317834

IUPAC2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide
SMILESCCC(CCBr)CNC(=O)c1cc(C)ccc1Br
InChIInChI=1S/C14H19Br2NO/c1-3-11(6-7-15)9-17-14(18)12-8-10(2)4-5-13(12)16/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyYPGQTJDXGCNPNL-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.30
Rot. Bonds6

About 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide

2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide (PubChem CID 114317834) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide
PubChem CID114317834
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide
SMILESCCC(CCBr)CNC(=O)c1cc(C)ccc1Br
InChIInChI=1S/C14H19Br2NO/c1-3-11(6-7-15)9-17-14(18)12-8-10(2)4-5-13(12)16/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyYPGQTJDXGCNPNL-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide 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-bromo-N-(2-ethylhexyl)-5-methylbenzamide
CID 81109580
N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide
CID 113276417
2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide
CID 113276353
2-bromo-N-(2,2-difluoroethyl)-5-methylbenzamide
CID 81002658
2-bromo-N-(2-chloropropyl)-5-methylbenzamide
CID 114296737
2-bromo-N-[2-(2-bromoethyl)pentyl]-5-fluorobenzamide
CID 114145829
N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide
CID 100527557
4-[(2-bromo-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 81110667
2-bromo-N-[(2S)-2-ethylhexyl]benzamide
CID 2287218
3-bromo-N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 107956765
3-bromo-N-(4-bromo-2-ethylbutyl)-4-chlorobenzamide
CID 107994072
N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 107016911

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide (CID 114317834) is 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide is CCC(CCBr)CNC(=O)c1cc(C)ccc1Br.
What is the InChIKey of 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide?
The InChIKey is YPGQTJDXGCNPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-3-11(6-7-15)9-17-14(18)12-8-10(2)4-5-13(12)16/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide?
2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide has a molecular weight of 377.12 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide is sourced from PubChem (CID 114317834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).