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

C19H18N2O3 — CID 18872421

IUPACN'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide
SMILESCc1ccc2occ(CC(=O)NNC(=O)Cc3ccccc3)c2c1
InChIInChI=1S/C19H18N2O3/c1-13-7-8-17-16(9-13)15(12-24-17)11-19(23)21-20-18(22)10-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyOZPYIUPWSSCXEV-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.67
Rot. Bonds4

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

N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide (PubChem CID 18872421) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide
PubChem CID18872421
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide
SMILESCc1ccc2occ(CC(=O)NNC(=O)Cc3ccccc3)c2c1
InChIInChI=1S/C19H18N2O3/c1-13-7-8-17-16(9-13)15(12-24-17)11-19(23)21-20-18(22)10-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyOZPYIUPWSSCXEV-UHFFFAOYSA-N
XLogP2.67
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.67
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

2-(5-methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 18872386
2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide
CID 18872422
2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446
2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872413
2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18872376
2-(5-methyl-1-benzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 18872348
1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone
CID 18860467
N-(3-acetylphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 18872372
2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4877348
2-(5-methyl-1-benzofuran-3-yl)-N-pyridin-3-ylacetamide
CID 2973081
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18872423
3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861171

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide?
The IUPAC name of N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide (CID 18872421) is N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide is Cc1ccc2occ(CC(=O)NNC(=O)Cc3ccccc3)c2c1.
What is the InChIKey of N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide?
The InChIKey is OZPYIUPWSSCXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-7-8-17-16(9-13)15(12-24-17)11-19(23)21-20-18(22)10-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide?
N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide has a molecular weight of 322.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide is sourced from PubChem (CID 18872421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).