N-phenylbenzenecarbohydrazonoyl chloride

C13H11ClN2 — CID 27278

IUPACN-phenylbenzenecarbohydrazonoyl chloride
SMILESClC(=NNc1ccccc1)c1ccccc1
InChIInChI=1S/C13H11ClN2/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H
InChIKeyIUSCIWAUZVKPPY-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.70
Rot. Bonds3

About N-phenylbenzenecarbohydrazonoyl chloride

N-phenylbenzenecarbohydrazonoyl chloride (PubChem CID 27278) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is N-phenylbenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound NameN-phenylbenzenecarbohydrazonoyl chloride
PubChem CID27278
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC NameN-phenylbenzenecarbohydrazonoyl chloride
SMILESClC(=NNc1ccccc1)c1ccccc1
InChIInChI=1S/C13H11ClN2/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H
InChIKeyIUSCIWAUZVKPPY-UHFFFAOYSA-N
XLogP3.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-phenylbenzenecarbohydrazonoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenylbenzenecarbohydrazonoyl chloride?
The IUPAC name of N-phenylbenzenecarbohydrazonoyl chloride (CID 27278) is N-phenylbenzenecarbohydrazonoyl chloride.
What is the SMILES notation for N-phenylbenzenecarbohydrazonoyl chloride?
The canonical SMILES for N-phenylbenzenecarbohydrazonoyl chloride is ClC(=NNc1ccccc1)c1ccccc1.
What is the InChIKey of N-phenylbenzenecarbohydrazonoyl chloride?
The InChIKey is IUSCIWAUZVKPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H.
What are the key properties of N-phenylbenzenecarbohydrazonoyl chloride?
N-phenylbenzenecarbohydrazonoyl chloride has a molecular weight of 230.70 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylbenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 27278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).