N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide

C14H20BrNO2 — CID 107321925

IUPACN-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCCCBr)cc1
InChIInChI=1S/C14H20BrNO2/c1-18-13-7-5-12(6-8-13)11-14(17)16-10-4-2-3-9-15/h5-8H,2-4,9-11H2,1H3,(H,16,17)
InChIKeyZWESGNAVOVVTSJ-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.92
Rot. Bonds8

About N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide

N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 107321925) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide
PubChem CID107321925
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCCCBr)cc1
InChIInChI=1S/C14H20BrNO2/c1-18-13-7-5-12(6-8-13)11-14(17)16-10-4-2-3-9-15/h5-8H,2-4,9-11H2,1H3,(H,16,17)
InChIKeyZWESGNAVOVVTSJ-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-(4-methoxyphenyl)propanamide
CID 107321632
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
N-(3-iodopropyl)-2-(4-methoxyphenyl)acetamide
CID 114504350
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
N-(4-bromobutyl)-2-(4-bromophenyl)acetamide
CID 106845842
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516355
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide
CID 114149390

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide (CID 107321925) is N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCCCCBr)cc1.
What is the InChIKey of N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is ZWESGNAVOVVTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-18-13-7-5-12(6-8-13)11-14(17)16-10-4-2-3-9-15/h5-8H,2-4,9-11H2,1H3,(H,16,17).
What are the key properties of N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide?
N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 314.22 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 107321925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).