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

C19H21ClN4O3 — CID 3140681

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

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

4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide (PubChem CID 3140681) 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-(2,4-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
PubChem CID3140681
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H21ClN4O3/c1-12-3-8-16(13(2)11-12)22-17(25)9-10-18(26)23-24-19(27)21-15-6-4-14(20)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,26)(H2,21,24,27)
InChIKeyMUQCIKWYOQRDOI-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'}

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Related Compounds

4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3342443
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
1-(4-chlorophenyl)-3-(octanoylamino)urea
CID 4170220
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 841025
3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035266
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
4-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 108796959
N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26664486
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide (CID 3140681) is 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide is Cc1ccc(NC(=O)CCC(=O)NNC(=O)Nc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The InChIKey is MUQCIKWYOQRDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-12-3-8-16(13(2)11-12)22-17(25)9-10-18(26)23-24-19(27)21-15-6-4-14(20)5-7-15/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-(2,4-dimethylphenyl)-4-oxobutanamide?
4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-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-(2,4-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 3140681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).