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

C14H19Br2NO — CID 106157759

IUPAC4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NCCCC(C)CBr
InChIInChI=1S/C14H19Br2NO/c1-10(9-15)4-3-7-17-14(18)13-6-5-12(16)8-11(13)2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyYHGAZCJVPUQMQP-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.30
Rot. Bonds6

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

4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide (PubChem CID 106157759) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide
PubChem CID106157759
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NCCCC(C)CBr
InChIInChI=1S/C14H19Br2NO/c1-10(9-15)4-3-7-17-14(18)13-6-5-12(16)8-11(13)2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyYHGAZCJVPUQMQP-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide
CID 114151560
4-bromo-N-(4-chloropentyl)-2-methylbenzamide
CID 106129866
4-bromo-N-(3-bromobutyl)-2-methylbenzamide
CID 114312653
4-bromo-N-(6-bromohexyl)-2-methylbenzamide
CID 107847484
4-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316945
2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide
CID 106157956
4-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 61287065
4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide
CID 106156782
N-(5-bromo-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 106157282
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307
N-(5-bromo-4-methylpentyl)-4-chlorobenzamide
CID 106157415

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide?
The IUPAC name of 4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide (CID 106157759) is 4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)NCCCC(C)CBr.
What is the InChIKey of 4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide?
The InChIKey is YHGAZCJVPUQMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-10(9-15)4-3-7-17-14(18)13-6-5-12(16)8-11(13)2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,18).
What are the key properties of 4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide?
4-bromo-N-(5-bromo-4-methylpentyl)-2-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 4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide is sourced from PubChem (CID 106157759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).