N-(4-bromo-2-methylphenyl)octanamide

C15H22BrNO — CID 4582485

IUPACN-(4-bromo-2-methylphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C15H22BrNO/c1-3-4-5-6-7-8-15(18)17-14-10-9-13(16)11-12(14)2/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyVFONCEBPVDMPLK-UHFFFAOYSA-N
MW312.25 g/mol
LogP5.06
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)octanamide

N-(4-bromo-2-methylphenyl)octanamide (PubChem CID 4582485) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)octanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)octanamide
PubChem CID4582485
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-(4-bromo-2-methylphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C15H22BrNO/c1-3-4-5-6-7-8-15(18)17-14-10-9-13(16)11-12(14)2/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyVFONCEBPVDMPLK-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.25
LogP ≤ 55.06
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

N-(2,4-dibromophenyl)hexanamide
CID 4251482
N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295
N-(2-amino-4-bromophenyl)nonanamide
CID 65449103
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-(4-formyl-2-methylphenyl)dodecanamide
CID 54174472
4-(henicosanoylamino)-3-methylbenzoic acid
CID 12800016
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
N-(4-bromo-2-oxamoylphenyl)octanamide
CID 102529539
N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide
CID 113136785
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
N'-(4-bromo-2-methylphenyl)-N-hexyloxamide
CID 47148018
N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide
CID 46193338

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)octanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)octanamide (CID 4582485) is N-(4-bromo-2-methylphenyl)octanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)octanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)octanamide is CCCCCCCC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)octanamide?
The InChIKey is VFONCEBPVDMPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-4-5-6-7-8-15(18)17-14-10-9-13(16)11-12(14)2/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-2-methylphenyl)octanamide?
N-(4-bromo-2-methylphenyl)octanamide has a molecular weight of 312.25 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)octanamide is sourced from PubChem (CID 4582485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).