N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride

C13H9Cl3N2 — CID 85434851

IUPACN-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride
SMILESClC(=NNc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C13H9Cl3N2/c14-10-6-7-12(11(15)8-10)17-18-13(16)9-4-2-1-3-5-9/h1-8,17H
InChIKeyWIGXZCWAQBVSSV-UHFFFAOYSA-N
MW299.59 g/mol
LogP5.01
Rot. Bonds3

About N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride

N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride (PubChem CID 85434851) has the molecular formula C13H9Cl3N2 and a molecular weight of 299.59 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride
PubChem CID85434851
Molecular FormulaC13H9Cl3N2
Molecular Weight299.59 g/mol
Exact Mass297.98
IUPAC NameN-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride
SMILESClC(=NNc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C13H9Cl3N2/c14-10-6-7-12(11(15)8-10)17-18-13(16)9-4-2-1-3-5-9/h1-8,17H
InChIKeyWIGXZCWAQBVSSV-UHFFFAOYSA-N
XLogP5.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.59
LogP ≤ 55.01
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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Related Compounds

N-(2,4-dichlorophenyl)ethanehydrazonoyl chloride
CID 72815031
N-(2,4-dichloroanilino)-2-oxo-2-phenylethanimidoyl cyanide
CID 830569
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
N-(benzhydrylideneamino)-2-chloroaniline
CID 11515058
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300
N-(2,4-difluorophenyl)-4-fluorobenzenecarbohydrazonoyl chloride
CID 145433145
(1E)-2-(4-chlorophenyl)-N-(2,4-dichloroanilino)-2-oxoethanimidoyl cyanide
CID 6309546
N'-(2-chloroanilino)benzenecarboximidamide
CID 134068294
(2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 6534550
4-chloro-2-[(E)-N-(2,4-dichloroanilino)-C-ethylcarbonimidoyl]-N-methylaniline
CID 58987717
1-(2,4-dichlorophenyl)-3-phenylthiourea
CID 800229
N-phenylnaphthalene-2-carbohydrazonoyl chloride
CID 167437589

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride?
The IUPAC name of N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride (CID 85434851) is N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride.
What is the SMILES notation for N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride?
The canonical SMILES for N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride is ClC(=NNc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride?
The InChIKey is WIGXZCWAQBVSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2/c14-10-6-7-12(11(15)8-10)17-18-13(16)9-4-2-1-3-5-9/h1-8,17H.
What are the key properties of N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride?
N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride has a molecular weight of 299.59 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 85434851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).