4-[2-[(3-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide

C19H21ClN4O3 — CID 2062645

IUPAC4-[2-[(3-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)Nc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C19H21ClN4O3/c1-12-6-7-16(13(2)10-12)22-17(25)8-9-18(26)23-24-19(27)21-15-5-3-4-14(20)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,22,25)(H,23,26)(H2,21,24,27)
InChIKeyCDBQRLATYQKWAH-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.53
Rot. Bonds5

About 4-[2-[(3-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide

4-[2-[(3-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide (PubChem CID 2062645) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 4-[2-[(3-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-[(3-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
PubChem CID2062645
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name4-[2-[(3-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)Nc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C19H21ClN4O3/c1-12-6-7-16(13(2)10-12)22-17(25)8-9-18(26)23-24-19(27)21-15-5-3-4-14(20)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,22,25)(H,23,26)(H2,21,24,27)
InChIKeyCDBQRLATYQKWAH-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

CID 3140676
CID 3140676
CID 5238384
CID 5238384
CID 24819047
CID 24819047
CID 841948
CID 841948
CID 1223853
CID 1223853
CID 2204748
CID 2204748
CID 2838470
CID 2838470
CID 3140682
CID 3140682
CID 3140693
CID 3140693
CID 3638630
CID 3638630
CID 2214100
CID 2214100
CID 2219253
CID 2219253

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-[(3-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide (CID 2062645) is 4-[2-[(3-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-[(3-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-[(3-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide is Cc1ccc(NC(=O)CCC(=O)NNC(=O)Nc2cccc(Cl)c2)c(C)c1.
What is the InChIKey of 4-[2-[(3-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The InChIKey is CDBQRLATYQKWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-12-6-7-16(13(2)10-12)22-17(25)8-9-18(26)23-24-19(27)21-15-5-3-4-14(20)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,22,25)(H,23,26)(H2,21,24,27).
What are the key properties of 4-[2-[(3-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
4-[2-[(3-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-[(3-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 2062645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).