N-(4-chlorophenyl)-2-oxopropanamide

C9H8ClNO2 — CID 4252596

IUPACN-(4-chlorophenyl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO2/c1-6(12)9(13)11-8-4-2-7(10)3-5-8/h2-5H,1H3,(H,11,13)
InChIKeyNXVUOSCKVKOPDF-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.87
Rot. Bonds2

About N-(4-chlorophenyl)-2-oxopropanamide

N-(4-chlorophenyl)-2-oxopropanamide (PubChem CID 4252596) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-oxopropanamide
PubChem CID4252596
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC NameN-(4-chlorophenyl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO2/c1-6(12)9(13)11-8-4-2-7(10)3-5-8/h2-5H,1H3,(H,11,13)
InChIKeyNXVUOSCKVKOPDF-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.87
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

N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide
CID 139520073
(E)-2,3-dichloro-4-(4-chloroanilino)-4-oxobut-2-enoic acid
CID 134109602
N-(4-chlorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108516687
Se-methyl N-(4-chlorophenyl)carbamoselenoate
CID 11831802
N'-(3-bromophenyl)-N-(4-chlorophenyl)oxamide
CID 108516651
N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512199
2-chloro-N-(4-chlorophenyl)-3-oxobutanamide
CID 2778503
3-[(4-chlorophenyl)carbamoyl]but-3-enoic acid
CID 71372890
2-amino-N-(4-chlorophenyl)-2-hydroxyiminoacetamide
CID 6846906
(1Z)-2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 15626985

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-oxopropanamide?
The IUPAC name of N-(4-chlorophenyl)-2-oxopropanamide (CID 4252596) is N-(4-chlorophenyl)-2-oxopropanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-oxopropanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-oxopropanamide is CC(=O)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-oxopropanamide?
The InChIKey is NXVUOSCKVKOPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-6(12)9(13)11-8-4-2-7(10)3-5-8/h2-5H,1H3,(H,11,13).
What are the key properties of N-(4-chlorophenyl)-2-oxopropanamide?
N-(4-chlorophenyl)-2-oxopropanamide has a molecular weight of 197.62 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-oxopropanamide is sourced from PubChem (CID 4252596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).