(Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride

C14H12Cl2N2 — CID 12730134

IUPAC(Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride
SMILESCc1cc(Cl)ccc1N/N=C(\Cl)c1ccccc1
InChIInChI=1S/C14H12Cl2N2/c1-10-9-12(15)7-8-13(10)17-18-14(16)11-5-3-2-4-6-11/h2-9,17H,1H3/b18-14-
InChIKeyBPBVMAWSNPPWFW-JXAWBTAJSA-N
MW279.17 g/mol
LogP4.66
Rot. Bonds3

About (Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride

(Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride (PubChem CID 12730134) has the molecular formula C14H12Cl2N2 and a molecular weight of 279.17 g/mol. Its IUPAC name is (Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride
PubChem CID12730134
Molecular FormulaC14H12Cl2N2
Molecular Weight279.17 g/mol
Exact Mass278.04
IUPAC Name(Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride
SMILESCc1cc(Cl)ccc1N/N=C(\Cl)c1ccccc1
InChIInChI=1S/C14H12Cl2N2/c1-10-9-12(15)7-8-13(10)17-18-14(16)11-5-3-2-4-6-11/h2-9,17H,1H3/b18-14-
InChIKeyBPBVMAWSNPPWFW-JXAWBTAJSA-N
XLogP4.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.66
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 (Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride?
The IUPAC name of (Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride (CID 12730134) is (Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride.
What is the SMILES notation for (Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride?
The canonical SMILES for (Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride is Cc1cc(Cl)ccc1N/N=C(\Cl)c1ccccc1.
What is the InChIKey of (Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride?
The InChIKey is BPBVMAWSNPPWFW-JXAWBTAJSA-N. The full InChI is InChI=1S/C14H12Cl2N2/c1-10-9-12(15)7-8-13(10)17-18-14(16)11-5-3-2-4-6-11/h2-9,17H,1H3/b18-14-.
What are the key properties of (Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride?
(Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride has a molecular weight of 279.17 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 12730134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).