(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride

C14H10Cl2N2 — CID 6141172

IUPAC(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride
SMILESCl/C(=N/N=C(/Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10Cl2N2/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H/b17-13+,18-14+
InChIKeySAZIGIAVMOYTBU-HBKJEHTGSA-N
MW277.15 g/mol
LogP4.27
Rot. Bonds3

About (NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride

(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride (PubChem CID 6141172) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is (NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride
PubChem CID6141172
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride
SMILESCl/C(=N/N=C(/Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10Cl2N2/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H/b17-13+,18-14+
InChIKeySAZIGIAVMOYTBU-HBKJEHTGSA-N
XLogP4.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.27
H-Bond Donors ≤ 50
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 (NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

(1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide
CID 135051948
ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate
CID 129251287
N-propan-2-ylbenzenecarboximidoyl chloride
CID 7131025
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
acetic acid;N-hydroxybenzenecarboximidoyl chloride
CID 158315171
N-cyclopropylbenzenecarboximidoyl chloride
CID 7130957
N-(1-phenylethyl)benzenecarboximidoyl chloride
CID 14043800
2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid
CID 139059157
N-(2-cyanophenyl)benzenecarboximidoyl chloride
CID 13465821
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300
N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride
CID 131712575
(NZ,Z)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride;2,6-dimethylaniline;4-(2,6-dimethylphenyl)-3,5-diphenyl-1,2,4-triazole
CID 172936128

Frequently Asked Questions

What is the IUPAC name of (NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride?
The IUPAC name of (NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride (CID 6141172) is (NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride.
What is the SMILES notation for (NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride?
The canonical SMILES for (NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride is Cl/C(=N/N=C(/Cl)c1ccccc1)c1ccccc1.
What is the InChIKey of (NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride?
The InChIKey is SAZIGIAVMOYTBU-HBKJEHTGSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H/b17-13+,18-14+.
What are the key properties of (NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride?
(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride has a molecular weight of 277.15 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 6141172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).