2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide

C18H15ClN2O3 — CID 18872413

IUPAC2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
SMILESCc1ccc2occ(CC(=O)NNC(=O)c3ccccc3Cl)c2c1
InChIInChI=1S/C18H15ClN2O3/c1-11-6-7-16-14(8-11)12(10-24-16)9-17(22)20-21-18(23)13-4-2-3-5-15(13)19/h2-8,10H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyVBZVAACYDKEZBA-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.40
Rot. Bonds3

About 2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide

2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide (PubChem CID 18872413) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
PubChem CID18872413
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
SMILESCc1ccc2occ(CC(=O)NNC(=O)c3ccccc3Cl)c2c1
InChIInChI=1S/C18H15ClN2O3/c1-11-6-7-16-14(8-11)12(10-24-16)9-17(22)20-21-18(23)13-4-2-3-5-15(13)19/h2-8,10H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyVBZVAACYDKEZBA-UHFFFAOYSA-N
XLogP3.40
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide 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

N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide
CID 18872421
2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18871924
2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide
CID 35931058
N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872065
2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide
CID 18872422
2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18872423
2-(5-methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 18872386
2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18872376
N-(2-chlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2600753
N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872463
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525179

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide (CID 18872413) is 2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide is Cc1ccc2occ(CC(=O)NNC(=O)c3ccccc3Cl)c2c1.
What is the InChIKey of 2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The InChIKey is VBZVAACYDKEZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-11-6-7-16-14(8-11)12(10-24-16)9-17(22)20-21-18(23)13-4-2-3-5-15(13)19/h2-8,10H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide has a molecular weight of 342.78 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 18872413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).