4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide

C19H21ClN4O3 — CID 3342443

IUPAC4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN4O3/c1-12-3-4-13(2)16(11-12)22-17(25)9-10-18(26)23-24-19(27)21-15-7-5-14(20)6-8-15/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,26)(H2,21,24,27)
InChIKeyZNTWCPHENSOERT-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.53
Rot. Bonds5

About 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide

4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide (PubChem CID 3342443) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
PubChem CID3342443
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN4O3/c1-12-3-4-13(2)16(11-12)22-17(25)9-10-18(26)23-24-19(27)21-15-7-5-14(20)6-8-15/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,26)(H2,21,24,27)
InChIKeyZNTWCPHENSOERT-UHFFFAOYSA-N
XLogP3.53
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-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

Related Compounds

4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 3140681
3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035266
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
4-[2-(3-bromo-4-methylbenzoyl)hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 4554325
4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3550936
1-(4-chlorophenyl)-3-(octanoylamino)urea
CID 4170220
3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113127429

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide (CID 3342443) is 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide is Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide?
The InChIKey is ZNTWCPHENSOERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-12-3-4-13(2)16(11-12)22-17(25)9-10-18(26)23-24-19(27)21-15-7-5-14(20)6-8-15/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,26)(H2,21,24,27).
What are the key properties of 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide?
4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide has a molecular weight of 388.86 g/mol, XLogP of 3.53, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 3342443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).