N'-(2-methylbenzoyl)furan-2-carbohydrazide

C13H12N2O3 — CID 732291

IUPACN'-(2-methylbenzoyl)furan-2-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccco1
InChIInChI=1S/C13H12N2O3/c1-9-5-2-3-6-10(9)12(16)14-15-13(17)11-7-4-8-18-11/h2-8H,1H3,(H,14,16)(H,15,17)
InChIKeyWRASPBYPEUBXQS-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.66
Rot. Bonds2

About N'-(2-methylbenzoyl)furan-2-carbohydrazide

N'-(2-methylbenzoyl)furan-2-carbohydrazide (PubChem CID 732291) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N'-(2-methylbenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylbenzoyl)furan-2-carbohydrazide
PubChem CID732291
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN'-(2-methylbenzoyl)furan-2-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccco1
InChIInChI=1S/C13H12N2O3/c1-9-5-2-3-6-10(9)12(16)14-15-13(17)11-7-4-8-18-11/h2-8H,1H3,(H,14,16)(H,15,17)
InChIKeyWRASPBYPEUBXQS-UHFFFAOYSA-N
XLogP1.66
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.66
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-methylbenzoyl)furan-2-carbohydrazide?
The IUPAC name of N'-(2-methylbenzoyl)furan-2-carbohydrazide (CID 732291) is N'-(2-methylbenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(2-methylbenzoyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(2-methylbenzoyl)furan-2-carbohydrazide is Cc1ccccc1C(=O)NNC(=O)c1ccco1.
What is the InChIKey of N'-(2-methylbenzoyl)furan-2-carbohydrazide?
The InChIKey is WRASPBYPEUBXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9-5-2-3-6-10(9)12(16)14-15-13(17)11-7-4-8-18-11/h2-8H,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2-methylbenzoyl)furan-2-carbohydrazide?
N'-(2-methylbenzoyl)furan-2-carbohydrazide has a molecular weight of 244.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylbenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 732291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).