N-(5-bromo-2-methoxyphenyl)octanamide

C15H22BrNO2 — CID 60540438

IUPACN-(5-bromo-2-methoxyphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1cc(Br)ccc1OC
InChIInChI=1S/C15H22BrNO2/c1-3-4-5-6-7-8-15(18)17-13-11-12(16)9-10-14(13)19-2/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyMMYGOKMZZQLTMZ-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.76
Rot. Bonds8

About N-(5-bromo-2-methoxyphenyl)octanamide

N-(5-bromo-2-methoxyphenyl)octanamide (PubChem CID 60540438) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)octanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)octanamide
PubChem CID60540438
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-(5-bromo-2-methoxyphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1cc(Br)ccc1OC
InChIInChI=1S/C15H22BrNO2/c1-3-4-5-6-7-8-15(18)17-13-11-12(16)9-10-14(13)19-2/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyMMYGOKMZZQLTMZ-UHFFFAOYSA-N
XLogP4.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide
CID 5334708
N-(2,4-dibromophenyl)hexanamide
CID 4251482
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide
CID 46193338
N-(5-bromo-2-methoxyphenyl)pent-4-ynamide
CID 106741399
N-(2-amino-4-bromophenyl)nonanamide
CID 65449103
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)octanamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)octanamide (CID 60540438) is N-(5-bromo-2-methoxyphenyl)octanamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)octanamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)octanamide is CCCCCCCC(=O)Nc1cc(Br)ccc1OC.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)octanamide?
The InChIKey is MMYGOKMZZQLTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-4-5-6-7-8-15(18)17-13-11-12(16)9-10-14(13)19-2/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of N-(5-bromo-2-methoxyphenyl)octanamide?
N-(5-bromo-2-methoxyphenyl)octanamide has a molecular weight of 328.25 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)octanamide is sourced from PubChem (CID 60540438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).