(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride

C14H13ClN2 — CID 11207300

IUPAC(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
SMILESCc1ccc(N/N=C(/Cl)c2ccccc2)cc1
InChIInChI=1S/C14H13ClN2/c1-11-7-9-13(10-8-11)16-17-14(15)12-5-3-2-4-6-12/h2-10,16H,1H3/b17-14+
InChIKeySVYRZJSBYXBBOY-SAPNQHFASA-N
MW244.72 g/mol
LogP4.01
Rot. Bonds3

About (E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride

(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride (PubChem CID 11207300) has the molecular formula C14H13ClN2 and a molecular weight of 244.72 g/mol. Its IUPAC name is (E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
PubChem CID11207300
Molecular FormulaC14H13ClN2
Molecular Weight244.72 g/mol
Exact Mass244.08
IUPAC Name(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
SMILESCc1ccc(N/N=C(/Cl)c2ccccc2)cc1
InChIInChI=1S/C14H13ClN2/c1-11-7-9-13(10-8-11)16-17-14(15)12-5-3-2-4-6-12/h2-10,16H,1H3/b17-14+
InChIKeySVYRZJSBYXBBOY-SAPNQHFASA-N
XLogP4.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.01
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride?
The IUPAC name of (E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride (CID 11207300) is (E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride.
What is the SMILES notation for (E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride?
The canonical SMILES for (E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride is Cc1ccc(N/N=C(/Cl)c2ccccc2)cc1.
What is the InChIKey of (E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride?
The InChIKey is SVYRZJSBYXBBOY-SAPNQHFASA-N. The full InChI is InChI=1S/C14H13ClN2/c1-11-7-9-13(10-8-11)16-17-14(15)12-5-3-2-4-6-12/h2-10,16H,1H3/b17-14+.
What are the key properties of (E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride?
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride has a molecular weight of 244.72 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 11207300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).