5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide

C17H14BrNO3 — CID 45103871

IUPAC5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide
SMILESO=C(CC(=O)Nc1ccccc1)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrNO3/c18-13-8-6-12(7-9-13)16(21)10-15(20)11-17(22)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,22)
InChIKeyQLRHPUUCQDSXCX-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.62
Rot. Bonds6

About 5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide

5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide (PubChem CID 45103871) has the molecular formula C17H14BrNO3 and a molecular weight of 360.21 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide
PubChem CID45103871
Molecular FormulaC17H14BrNO3
Molecular Weight360.21 g/mol
Exact Mass359.02
IUPAC Name5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide
SMILESO=C(CC(=O)Nc1ccccc1)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrNO3/c18-13-8-6-12(7-9-13)16(21)10-15(20)11-17(22)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,22)
InChIKeyQLRHPUUCQDSXCX-UHFFFAOYSA-N
XLogP3.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide
CID 45103866
(5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide
CID 5388120
N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 55960943
1-(4-bromophenyl)-4-phenylbutane-1,2,4-trione
CID 162856895
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
4-(4-bromophenyl)-1-phenylbutane-1,2,4-trione
CID 162997615
N'-hydroxy-N-phenylpropanediamide
CID 20721653
4-oxo-N,4-diphenylbutanamide
CID 825307
4-chloro-3-oxo-N-phenylbutanamide;hydrochloride
CID 172827163
4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide
CID 88616895
3-(4-bromophenyl)-3-hydroxy-N-phenylpropanamide
CID 22142303
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide?
The IUPAC name of 5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide (CID 45103871) is 5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide?
The canonical SMILES for 5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide is O=C(CC(=O)Nc1ccccc1)CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide?
The InChIKey is QLRHPUUCQDSXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO3/c18-13-8-6-12(7-9-13)16(21)10-15(20)11-17(22)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,22).
What are the key properties of 5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide?
5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide has a molecular weight of 360.21 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide is sourced from PubChem (CID 45103871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).