4-bromo-N-(6-bromohexyl)-2-methylbenzamide

C14H19Br2NO — CID 107847484

IUPAC4-bromo-N-(6-bromohexyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NCCCCCCBr
InChIInChI=1S/C14H19Br2NO/c1-11-10-12(16)6-7-13(11)14(18)17-9-5-3-2-4-8-15/h6-7,10H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyLGDOKSBLFMFASH-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.44
Rot. Bonds7

About 4-bromo-N-(6-bromohexyl)-2-methylbenzamide

4-bromo-N-(6-bromohexyl)-2-methylbenzamide (PubChem CID 107847484) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 4-bromo-N-(6-bromohexyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(6-bromohexyl)-2-methylbenzamide
PubChem CID107847484
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name4-bromo-N-(6-bromohexyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NCCCCCCBr
InChIInChI=1S/C14H19Br2NO/c1-11-10-12(16)6-7-13(11)14(18)17-9-5-3-2-4-8-15/h6-7,10H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyLGDOKSBLFMFASH-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 54.44
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

N-(5-bromopentyl)-2,4-dimethylbenzamide
CID 107321862
4-bromo-N-(6-bromohexyl)-2-fluorobenzamide
CID 114008594
4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide
CID 106157759
4-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 61287065
N-(5-bromopentyl)-2-methyl-4-nitrobenzamide
CID 107321880
2-bromo-N-(6-bromohexyl)-4-methylbenzamide
CID 107847962
4-bromo-N-(4-chloropentyl)-2-methylbenzamide
CID 106129866
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
N-(6-bromohexyl)-2-chloro-4-methylbenzamide
CID 107847912
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
4-bromo-N-(3-bromobutyl)-2-methylbenzamide
CID 114312653
5-bromo-N-(5-chloropentyl)-2-methylbenzamide
CID 107321142

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-bromohexyl)-2-methylbenzamide?
The IUPAC name of 4-bromo-N-(6-bromohexyl)-2-methylbenzamide (CID 107847484) is 4-bromo-N-(6-bromohexyl)-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(6-bromohexyl)-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-(6-bromohexyl)-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)NCCCCCCBr.
What is the InChIKey of 4-bromo-N-(6-bromohexyl)-2-methylbenzamide?
The InChIKey is LGDOKSBLFMFASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-11-10-12(16)6-7-13(11)14(18)17-9-5-3-2-4-8-15/h6-7,10H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(6-bromohexyl)-2-methylbenzamide?
4-bromo-N-(6-bromohexyl)-2-methylbenzamide has a molecular weight of 377.12 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-bromohexyl)-2-methylbenzamide is sourced from PubChem (CID 107847484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).