2,5-dibromo-N-(7-methyloctyl)benzamide

C16H23Br2NO — CID 114371952

IUPAC2,5-dibromo-N-(7-methyloctyl)benzamide
SMILESCC(C)CCCCCCNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C16H23Br2NO/c1-12(2)7-5-3-4-6-10-19-16(20)14-11-13(17)8-9-15(14)18/h8-9,11-12H,3-7,10H2,1-2H3,(H,19,20)
InChIKeyKNHNGABDCBNMQG-UHFFFAOYSA-N
MW405.17 g/mol
LogP5.55
Rot. Bonds8

About 2,5-dibromo-N-(7-methyloctyl)benzamide

2,5-dibromo-N-(7-methyloctyl)benzamide (PubChem CID 114371952) has the molecular formula C16H23Br2NO and a molecular weight of 405.17 g/mol. Its IUPAC name is 2,5-dibromo-N-(7-methyloctyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(7-methyloctyl)benzamide
PubChem CID114371952
Molecular FormulaC16H23Br2NO
Molecular Weight405.17 g/mol
Exact Mass403.01
IUPAC Name2,5-dibromo-N-(7-methyloctyl)benzamide
SMILESCC(C)CCCCCCNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C16H23Br2NO/c1-12(2)7-5-3-4-6-10-19-16(20)14-11-13(17)8-9-15(14)18/h8-9,11-12H,3-7,10H2,1-2H3,(H,19,20)
InChIKeyKNHNGABDCBNMQG-UHFFFAOYSA-N
XLogP5.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.17
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
CID 63525308
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
3-amino-4-bromo-N-(7-methyloctyl)benzamide
CID 107813039
2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 114372816
2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287868
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
CID 114374303
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
5-bromo-N-(5-chloropentyl)-2-methylbenzamide
CID 107321142
4-bromo-2-(7-methyloctylamino)benzoic acid
CID 107818202

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(7-methyloctyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(7-methyloctyl)benzamide (CID 114371952) is 2,5-dibromo-N-(7-methyloctyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(7-methyloctyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(7-methyloctyl)benzamide is CC(C)CCCCCCNC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(7-methyloctyl)benzamide?
The InChIKey is KNHNGABDCBNMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br2NO/c1-12(2)7-5-3-4-6-10-19-16(20)14-11-13(17)8-9-15(14)18/h8-9,11-12H,3-7,10H2,1-2H3,(H,19,20).
What are the key properties of 2,5-dibromo-N-(7-methyloctyl)benzamide?
2,5-dibromo-N-(7-methyloctyl)benzamide has a molecular weight of 405.17 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(7-methyloctyl)benzamide is sourced from PubChem (CID 114371952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).