2-acetylbenzohydrazide;hydrochloride

C9H11ClN2O2 — CID 175815383

IUPAC2-acetylbenzohydrazide;hydrochloride
SMILESCC(=O)c1ccccc1C(=O)NN.Cl
InChIInChI=1S/C9H10N2O2.ClH/c1-6(12)7-4-2-3-5-8(7)9(13)11-10;/h2-5H,10H2,1H3,(H,11,13);1H
InChIKeyPYMRYPVQQFZYTR-UHFFFAOYSA-N
MW214.65 g/mol
LogP0.91
Rot. Bonds2

About 2-acetylbenzohydrazide;hydrochloride

2-acetylbenzohydrazide;hydrochloride (PubChem CID 175815383) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-acetylbenzohydrazide;hydrochloride.

Molecular Properties

Compound Name2-acetylbenzohydrazide;hydrochloride
PubChem CID175815383
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-acetylbenzohydrazide;hydrochloride
SMILESCC(=O)c1ccccc1C(=O)NN.Cl
InChIInChI=1S/C9H10N2O2.ClH/c1-6(12)7-4-2-3-5-8(7)9(13)11-10;/h2-5H,10H2,1H3,(H,11,13);1H
InChIKeyPYMRYPVQQFZYTR-UHFFFAOYSA-N
XLogP0.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-acetylbenzohydrazide;hydrochloride?
The IUPAC name of 2-acetylbenzohydrazide;hydrochloride (CID 175815383) is 2-acetylbenzohydrazide;hydrochloride.
What is the SMILES notation for 2-acetylbenzohydrazide;hydrochloride?
The canonical SMILES for 2-acetylbenzohydrazide;hydrochloride is CC(=O)c1ccccc1C(=O)NN.Cl.
What is the InChIKey of 2-acetylbenzohydrazide;hydrochloride?
The InChIKey is PYMRYPVQQFZYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2.ClH/c1-6(12)7-4-2-3-5-8(7)9(13)11-10;/h2-5H,10H2,1H3,(H,11,13);1H.
What are the key properties of 2-acetylbenzohydrazide;hydrochloride?
2-acetylbenzohydrazide;hydrochloride has a molecular weight of 214.65 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetylbenzohydrazide;hydrochloride is sourced from PubChem (CID 175815383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).