N'-benzylfuran-2-carbohydrazide;hydrochloride

C12H13ClN2O2 — CID 3058473

IUPACN'-benzylfuran-2-carbohydrazide;hydrochloride
SMILESCl.O=C(NNCc1ccccc1)c1ccco1
InChIInChI=1S/C12H12N2O2.ClH/c15-12(11-7-4-8-16-11)14-13-9-10-5-2-1-3-6-10;/h1-8,13H,9H2,(H,14,15);1H
InChIKeyTTZDXWXLYPLIPA-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.14
Rot. Bonds4

About N'-benzylfuran-2-carbohydrazide;hydrochloride

N'-benzylfuran-2-carbohydrazide;hydrochloride (PubChem CID 3058473) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is N'-benzylfuran-2-carbohydrazide;hydrochloride.

Molecular Properties

Compound NameN'-benzylfuran-2-carbohydrazide;hydrochloride
PubChem CID3058473
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC NameN'-benzylfuran-2-carbohydrazide;hydrochloride
SMILESCl.O=C(NNCc1ccccc1)c1ccco1
InChIInChI=1S/C12H12N2O2.ClH/c15-12(11-7-4-8-16-11)14-13-9-10-5-2-1-3-6-10;/h1-8,13H,9H2,(H,14,15);1H
InChIKeyTTZDXWXLYPLIPA-UHFFFAOYSA-N
XLogP2.14
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.14
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'-benzylfuran-2-carbohydrazide;hydrochloride?
The IUPAC name of N'-benzylfuran-2-carbohydrazide;hydrochloride (CID 3058473) is N'-benzylfuran-2-carbohydrazide;hydrochloride.
What is the SMILES notation for N'-benzylfuran-2-carbohydrazide;hydrochloride?
The canonical SMILES for N'-benzylfuran-2-carbohydrazide;hydrochloride is Cl.O=C(NNCc1ccccc1)c1ccco1.
What is the InChIKey of N'-benzylfuran-2-carbohydrazide;hydrochloride?
The InChIKey is TTZDXWXLYPLIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.ClH/c15-12(11-7-4-8-16-11)14-13-9-10-5-2-1-3-6-10;/h1-8,13H,9H2,(H,14,15);1H.
What are the key properties of N'-benzylfuran-2-carbohydrazide;hydrochloride?
N'-benzylfuran-2-carbohydrazide;hydrochloride has a molecular weight of 252.70 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzylfuran-2-carbohydrazide;hydrochloride is sourced from PubChem (CID 3058473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).