N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide

C18H16N2O4 — CID 725697

IUPACN'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H16N2O4/c1-12-6-8-14(9-7-12)23-11-17(21)19-20-18(22)16-10-13-4-2-3-5-15(13)24-16/h2-10H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyYAPZOCIMBBNQDC-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.58
Rot. Bonds4

About N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide

N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide (PubChem CID 725697) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
PubChem CID725697
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H16N2O4/c1-12-6-8-14(9-7-12)23-11-17(21)19-20-18(22)16-10-13-4-2-3-5-15(13)24-16/h2-10H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyYAPZOCIMBBNQDC-UHFFFAOYSA-N
XLogP2.58
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide (CID 725697) is N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is YAPZOCIMBBNQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12-6-8-14(9-7-12)23-11-17(21)19-20-18(22)16-10-13-4-2-3-5-15(13)24-16/h2-10H,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 324.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 725697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).