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

C17H14ClNO3 — CID 45103866

IUPAC5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide
SMILESO=C(CC(=O)Nc1ccccc1)CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO3/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)
InChIKeyWTRVMGWJADPPOF-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.51
Rot. Bonds6

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

5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide (PubChem CID 45103866) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide
PubChem CID45103866
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide
SMILESO=C(CC(=O)Nc1ccccc1)CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO3/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)
InChIKeyWTRVMGWJADPPOF-UHFFFAOYSA-N
XLogP3.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.51
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-bromophenyl)-3,5-dioxo-N-phenylpentanamide
CID 45103871
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
4-chloro-3-oxo-N-phenylbutanamide;hydrochloride
CID 172827163
4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 3516495
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-phenylacetamide
CID 35270563
N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide
CID 9145872
4-amino-1-(4-chlorophenyl)butane-1,3-dione
CID 70490011
[2-(4-chloroanilino)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 19059171
4-oxo-N,4-diphenylbutanamide
CID 825307
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide
CID 88616895
4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide
CID 2400388

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide?
The IUPAC name of 5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide (CID 45103866) is 5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide.
What is the SMILES notation for 5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide?
The canonical SMILES for 5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide is O=C(CC(=O)Nc1ccccc1)CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide?
The InChIKey is WTRVMGWJADPPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/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-chlorophenyl)-3,5-dioxo-N-phenylpentanamide?
5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide has a molecular weight of 315.76 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide is sourced from PubChem (CID 45103866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).