4-(4-bromophenyl)-2-oxopentanamide

C11H12BrNO2 — CID 59163793

IUPAC4-(4-bromophenyl)-2-oxopentanamide
SMILESCC(CC(=O)C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO2/c1-7(6-10(14)11(13)15)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeySJUMEGFZCNBFPS-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.00
Rot. Bonds4

About 4-(4-bromophenyl)-2-oxopentanamide

4-(4-bromophenyl)-2-oxopentanamide (PubChem CID 59163793) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-oxopentanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-oxopentanamide
PubChem CID59163793
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name4-(4-bromophenyl)-2-oxopentanamide
SMILESCC(CC(=O)C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO2/c1-7(6-10(14)11(13)15)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeySJUMEGFZCNBFPS-UHFFFAOYSA-N
XLogP2.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3S)-3-(4-bromophenyl)butanoate
CID 90210718
[(2S)-2-(4-bromophenyl)propyl] carbamate
CID 175558973
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
1-(4-bromophenyl)-3-phenylbutan-1-one
CID 143974800
3-(4-bromophenyl)-3-hydroxypropanamide
CID 11514276
3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide
CID 104981313
2-amino-2-(4-bromophenyl)acetamide;ethane
CID 163255777
[(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium
CID 8643350
3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide
CID 104502256
1-(3-amino-4-methylpyrrolidin-1-yl)-3-(4-bromophenyl)butan-1-one
CID 103575954
3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide
CID 103820505
3-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)butanamide
CID 104502253

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-oxopentanamide?
The IUPAC name of 4-(4-bromophenyl)-2-oxopentanamide (CID 59163793) is 4-(4-bromophenyl)-2-oxopentanamide.
What is the SMILES notation for 4-(4-bromophenyl)-2-oxopentanamide?
The canonical SMILES for 4-(4-bromophenyl)-2-oxopentanamide is CC(CC(=O)C(N)=O)c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-oxopentanamide?
The InChIKey is SJUMEGFZCNBFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-7(6-10(14)11(13)15)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,15).
What are the key properties of 4-(4-bromophenyl)-2-oxopentanamide?
4-(4-bromophenyl)-2-oxopentanamide has a molecular weight of 270.13 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-oxopentanamide is sourced from PubChem (CID 59163793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).