N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide

C16H13ClN2O3 — CID 108514724

IUPACN-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN2O3/c1-10(20)11-2-6-13(7-3-11)18-15(21)16(22)19-14-8-4-12(17)5-9-14/h2-9H,1H3,(H,18,21)(H,19,22)
InChIKeyPTIPLUHKDTYMDT-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.12
Rot. Bonds3

About N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide

N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide (PubChem CID 108514724) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
PubChem CID108514724
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC NameN-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN2O3/c1-10(20)11-2-6-13(7-3-11)18-15(21)16(22)19-14-8-4-12(17)5-9-14/h2-9H,1H3,(H,18,21)(H,19,22)
InChIKeyPTIPLUHKDTYMDT-UHFFFAOYSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968994
N-(4-chlorophenyl)-2-oxopropanamide
CID 4252596
(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019533
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
N'-(4-acetylphenyl)-N-ethyloxamide
CID 108514755
N-(4-acetylphenyl)-N'-tert-butyloxamide
CID 108506817
N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide
CID 103763178
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide?
The IUPAC name of N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide (CID 108514724) is N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide is CC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide?
The InChIKey is PTIPLUHKDTYMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-10(20)11-2-6-13(7-3-11)18-15(21)16(22)19-14-8-4-12(17)5-9-14/h2-9H,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide?
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide has a molecular weight of 316.74 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide is sourced from PubChem (CID 108514724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).