4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide

C18H18ClN3O3 — CID 9220953

IUPAC4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESCc1ccccc1C(=O)NNC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-12-4-2-3-5-15(12)18(25)22-21-16(23)10-11-20-17(24)13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyNREASPBZDYWYBQ-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.23
Rot. Bonds5

About 4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide

4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 9220953) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
PubChem CID9220953
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESCc1ccccc1C(=O)NNC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-12-4-2-3-5-15(12)18(25)22-21-16(23)10-11-20-17(24)13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyNREASPBZDYWYBQ-UHFFFAOYSA-N
XLogP2.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide 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

2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9086797
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9084877
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9086478
4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4795367
tert-butyl N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]carbamate
CID 9224304
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 2678141
4-chloro-N-[3-[2-[2-(3,5-dimethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 9470850
N-[3-[2-(benzylcarbamothioyl)hydrazinyl]-3-oxopropyl]-4-chlorobenzamide
CID 7977854
4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
CID 26820776
N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512458

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide (CID 9220953) is 4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide is Cc1ccccc1C(=O)NNC(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is NREASPBZDYWYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-12-4-2-3-5-15(12)18(25)22-21-16(23)10-11-20-17(24)13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of 4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 359.81 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 9220953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).