4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide

C14H18ClN3O3 — CID 3146135

IUPAC4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide
SMILESCCCC(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O3/c1-2-5-13(20)17-18-14(21)9-8-12(19)16-11-7-4-3-6-10(11)15/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyCAIZRUAIMDUBBF-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.01
Rot. Bonds6

About 4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide

4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide (PubChem CID 3146135) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide
PubChem CID3146135
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide
SMILESCCCC(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O3/c1-2-5-13(20)17-18-14(21)9-8-12(19)16-11-7-4-3-6-10(11)15/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyCAIZRUAIMDUBBF-UHFFFAOYSA-N
XLogP2.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.01
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-butanoylhydrazinyl)-N-(2-chlorophenyl)-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-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide?
The IUPAC name of 4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide (CID 3146135) is 4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide?
The canonical SMILES for 4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide is CCCC(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl.
What is the InChIKey of 4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide?
The InChIKey is CAIZRUAIMDUBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-2-5-13(20)17-18-14(21)9-8-12(19)16-11-7-4-3-6-10(11)15/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of 4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide?
4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide has a molecular weight of 311.77 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 3146135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).