4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide

C19H20ClN3O3 — CID 3140682

IUPAC4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C19H20ClN3O3/c1-12-7-8-16(13(2)11-12)21-17(24)9-10-18(25)22-23-19(26)14-5-3-4-6-15(14)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyZCPLTAAFPNMOHC-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.14
Rot. Bonds5

About 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide

4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide (PubChem CID 3140682) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
PubChem CID3140682
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C19H20ClN3O3/c1-12-7-8-16(13(2)11-12)21-17(24)9-10-18(25)22-23-19(26)14-5-3-4-6-15(14)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyZCPLTAAFPNMOHC-UHFFFAOYSA-N
XLogP3.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide (CID 3140682) is 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide is Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)c(C)c1.
What is the InChIKey of 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The InChIKey is ZCPLTAAFPNMOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-12-7-8-16(13(2)11-12)21-17(24)9-10-18(25)22-23-19(26)14-5-3-4-6-15(14)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide has a molecular weight of 373.84 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 3140682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).