5-(2-acetyl-5-bromophenoxy)pentanamide

C13H16BrNO3 — CID 114281647

IUPAC5-(2-acetyl-5-bromophenoxy)pentanamide
SMILESCC(=O)c1ccc(Br)cc1OCCCCC(N)=O
InChIInChI=1S/C13H16BrNO3/c1-9(16)11-6-5-10(14)8-12(11)18-7-3-2-4-13(15)17/h5-6,8H,2-4,7H2,1H3,(H2,15,17)
InChIKeyOCAQKJOKCWISTA-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.69
Rot. Bonds7

About 5-(2-acetyl-5-bromophenoxy)pentanamide

5-(2-acetyl-5-bromophenoxy)pentanamide (PubChem CID 114281647) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-(2-acetyl-5-bromophenoxy)pentanamide.

Molecular Properties

Compound Name5-(2-acetyl-5-bromophenoxy)pentanamide
PubChem CID114281647
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name5-(2-acetyl-5-bromophenoxy)pentanamide
SMILESCC(=O)c1ccc(Br)cc1OCCCCC(N)=O
InChIInChI=1S/C13H16BrNO3/c1-9(16)11-6-5-10(14)8-12(11)18-7-3-2-4-13(15)17/h5-6,8H,2-4,7H2,1H3,(H2,15,17)
InChIKeyOCAQKJOKCWISTA-UHFFFAOYSA-N
XLogP2.69
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-pentoxyphenyl)ethanone
CID 82972299
1-[4-bromo-2-(4,4,4-trifluorobutoxy)phenyl]ethanone
CID 82972076
1-[4-bromo-2-(3,3-dimethylbutoxy)phenyl]ethanone
CID 82971528
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanone
CID 113427004
1-[4-bromo-2-(3-methoxy-3-methylbutoxy)phenyl]ethanone
CID 103033790
1-[4-bromo-2-(2-propoxyphenoxy)phenyl]ethanone
CID 82956146
1-[4-bromo-2-(2-hydroxy-3-methoxypropoxy)phenyl]ethanone
CID 103931759
1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone
CID 82971448
1-[4-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966599
4-amino-2-(5-amino-5-oxopentoxy)benzamide
CID 114281709
4-bromo-2-(6-hydroxyhexoxy)benzoic acid
CID 107702160
1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 102948039

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetyl-5-bromophenoxy)pentanamide?
The IUPAC name of 5-(2-acetyl-5-bromophenoxy)pentanamide (CID 114281647) is 5-(2-acetyl-5-bromophenoxy)pentanamide.
What is the SMILES notation for 5-(2-acetyl-5-bromophenoxy)pentanamide?
The canonical SMILES for 5-(2-acetyl-5-bromophenoxy)pentanamide is CC(=O)c1ccc(Br)cc1OCCCCC(N)=O.
What is the InChIKey of 5-(2-acetyl-5-bromophenoxy)pentanamide?
The InChIKey is OCAQKJOKCWISTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-9(16)11-6-5-10(14)8-12(11)18-7-3-2-4-13(15)17/h5-6,8H,2-4,7H2,1H3,(H2,15,17).
What are the key properties of 5-(2-acetyl-5-bromophenoxy)pentanamide?
5-(2-acetyl-5-bromophenoxy)pentanamide has a molecular weight of 314.18 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetyl-5-bromophenoxy)pentanamide is sourced from PubChem (CID 114281647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).