N-[(4-bromophenyl)methyl]octanamide

C15H22BrNO — CID 60582799

IUPACN-[(4-bromophenyl)methyl]octanamide
SMILESCCCCCCCC(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-2-3-4-5-6-7-15(18)17-12-13-8-10-14(16)11-9-13/h8-11H,2-7,12H2,1H3,(H,17,18)
InChIKeyQJXYZZLMKBTPMM-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.43
Rot. Bonds8

About N-[(4-bromophenyl)methyl]octanamide

N-[(4-bromophenyl)methyl]octanamide (PubChem CID 60582799) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]octanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]octanamide
PubChem CID60582799
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[(4-bromophenyl)methyl]octanamide
SMILESCCCCCCCC(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-2-3-4-5-6-7-15(18)17-12-13-8-10-14(16)11-9-13/h8-11H,2-7,12H2,1H3,(H,17,18)
InChIKeyQJXYZZLMKBTPMM-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.43
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-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
N-[[4-(chloromethyl)phenyl]methyl]heptanamide
CID 107233492
N-benzylundecanamide
CID 5078198
N-[[4-(dimethylamino)phenyl]methyl]octadecanamide
CID 154276818
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
sodium 4-[(decanoylamino)methyl]benzoate
CID 23676819
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]octanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]octanamide (CID 60582799) is N-[(4-bromophenyl)methyl]octanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]octanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]octanamide is CCCCCCCC(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]octanamide?
The InChIKey is QJXYZZLMKBTPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-3-4-5-6-7-15(18)17-12-13-8-10-14(16)11-9-13/h8-11H,2-7,12H2,1H3,(H,17,18).
What are the key properties of N-[(4-bromophenyl)methyl]octanamide?
N-[(4-bromophenyl)methyl]octanamide has a molecular weight of 312.25 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]octanamide is sourced from PubChem (CID 60582799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).