2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide

C20H21ClN2O3 — CID 9339826

IUPAC2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide
SMILESCCCc1ccc(C(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C20H21ClN2O3/c1-2-5-14-8-10-15(11-9-14)18(24)12-13-19(25)22-23-20(26)16-6-3-4-7-17(16)21/h3-4,6-11H,2,5,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyFHWXYZVSWUXGCG-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.72
Rot. Bonds7

About 2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide

2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide (PubChem CID 9339826) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide
PubChem CID9339826
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide
SMILESCCCc1ccc(C(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C20H21ClN2O3/c1-2-5-14-8-10-15(11-9-14)18(24)12-13-19(25)22-23-20(26)16-6-3-4-7-17(16)21/h3-4,6-11H,2,5,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyFHWXYZVSWUXGCG-UHFFFAOYSA-N
XLogP3.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.72
H-Bond Donors ≤ 52
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-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
methyl 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate
CID 4511035
1-(3-chlorophenyl)-3-[[4-oxo-4-(4-propylphenyl)butanoyl]amino]thiourea
CID 9480240
4-oxo-N-propyl-4-(4-propylphenyl)butanamide
CID 94273839
2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide
CID 9220935
[2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate
CID 19644736
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide
CID 42576438
2-chloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108539580
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
N'-[2-(4-propylphenyl)acetyl]benzohydrazide
CID 134106335
methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 82116427
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate
CID 19644735

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide (CID 9339826) is 2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide is CCCc1ccc(C(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide?
The InChIKey is FHWXYZVSWUXGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-2-5-14-8-10-15(11-9-14)18(24)12-13-19(25)22-23-20(26)16-6-3-4-7-17(16)21/h3-4,6-11H,2,5,12-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide?
2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide has a molecular weight of 372.85 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide is sourced from PubChem (CID 9339826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).