N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide

C18H16N2O3 — CID 2576871

IUPACN'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
SMILESCc1ccc2c(CC(=O)NNC(=O)c3ccccc3)coc2c1
InChIInChI=1S/C18H16N2O3/c1-12-7-8-15-14(11-23-16(15)9-12)10-17(21)19-20-18(22)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyPZXLCACLWROUDB-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.74
Rot. Bonds3

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

N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide (PubChem CID 2576871) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
PubChem CID2576871
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
SMILESCc1ccc2c(CC(=O)NNC(=O)c3ccccc3)coc2c1
InChIInChI=1S/C18H16N2O3/c1-12-7-8-15-14(11-23-16(15)9-12)10-17(21)19-20-18(22)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyPZXLCACLWROUDB-UHFFFAOYSA-N
XLogP2.74
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.74
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide (CID 2576871) is N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide is Cc1ccc2c(CC(=O)NNC(=O)c3ccccc3)coc2c1.
What is the InChIKey of N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The InChIKey is PZXLCACLWROUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-7-8-15-14(11-23-16(15)9-12)10-17(21)19-20-18(22)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide has a molecular weight of 308.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 2576871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).