N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide

C19H18N2O3 — CID 18079669

IUPACN'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
SMILESCc1cc2occ(CC(=O)NNC(=O)c3ccccc3)c2cc1C
InChIInChI=1S/C19H18N2O3/c1-12-8-16-15(11-24-17(16)9-13(12)2)10-18(22)20-21-19(23)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCFZSUXAXNFTGPO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.05
Rot. Bonds3

About N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide

N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide (PubChem CID 18079669) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
PubChem CID18079669
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
SMILESCc1cc2occ(CC(=O)NNC(=O)c3ccccc3)c2cc1C
InChIInChI=1S/C19H18N2O3/c1-12-8-16-15(11-24-17(16)9-13(12)2)10-18(22)20-21-19(23)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCFZSUXAXNFTGPO-UHFFFAOYSA-N
XLogP3.05
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.05
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

N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 2982934
Naphtho[2,1-b]furan-2-carbohydrazide
CID 2764524
N'-(2-(4-ethylphenoxy)acetyl)benzofuran-2-carbohydrazide
CID 725700
N-benzyl-2-naphtho[2,1-b]furan-1-ylacetamide
CID 1243323
N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 2576871
N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8087327
2-hydroxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 9103625
N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 16012828
2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide
CID 1248581
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 1285219
N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-4-methylbenzohydrazide
CID 2492500
2-fluoro-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 2521033

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide (CID 18079669) is N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide is Cc1cc2occ(CC(=O)NNC(=O)c3ccccc3)c2cc1C.
What is the InChIKey of N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The InChIKey is CFZSUXAXNFTGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-8-16-15(11-24-17(16)9-13(12)2)10-18(22)20-21-19(23)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide has a molecular weight of 322.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 18079669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).