[(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate

C9H6Cl3NO2 — CID 21439652

IUPAC[(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate
SMILESO=C(CCl)O/N=C(\Cl)c1ccccc1Cl
InChIInChI=1S/C9H6Cl3NO2/c10-5-8(14)15-13-9(12)6-3-1-2-4-7(6)11/h1-4H,5H2/b13-9-
InChIKeyYEAFXVNZLPPZIW-LCYFTJDESA-N
MW266.51 g/mol
LogP3.02
Rot. Bonds3

About [(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate

[(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate (PubChem CID 21439652) has the molecular formula C9H6Cl3NO2 and a molecular weight of 266.51 g/mol. Its IUPAC name is [(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate.

Molecular Properties

Compound Name[(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate
PubChem CID21439652
Molecular FormulaC9H6Cl3NO2
Molecular Weight266.51 g/mol
Exact Mass264.95
IUPAC Name[(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate
SMILESO=C(CCl)O/N=C(\Cl)c1ccccc1Cl
InChIInChI=1S/C9H6Cl3NO2/c10-5-8(14)15-13-9(12)6-3-1-2-4-7(6)11/h1-4H,5H2/b13-9-
InChIKeyYEAFXVNZLPPZIW-LCYFTJDESA-N
XLogP3.02
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate 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

[(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate
CID 88744854
[(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate
CID 6243258
2-chloroacetyl chloride;1,2-dichlorobenzene
CID 174927592
[(Z)-[amino(pyridin-2-yl)methylidene]amino] 2-chloroacetate
CID 88937741
[(E)-[amino-(4-chlorophenyl)sulfonylmethylidene]amino] 2-chloroacetate
CID 119028583
[[amino-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylidene]amino] 2-chloroacetate
CID 2781697
[[amino-(2-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 2876644
(propan-2-ylideneamino) 2-chloroacetate
CID 11744797
3-(2-chlorophenyl)-3-oxopropanoyl chloride
CID 175437558
[(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate
CID 133221313
ethyl 4-(2-chlorophenyl)-4-oxobutanoate
CID 24727758
1-(2-chlorophenyl)-2-phosphanylethanone
CID 144986578

Frequently Asked Questions

What is the IUPAC name of [(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate?
The IUPAC name of [(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate (CID 21439652) is [(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate.
What is the SMILES notation for [(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate?
The canonical SMILES for [(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate is O=C(CCl)O/N=C(\Cl)c1ccccc1Cl.
What is the InChIKey of [(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate?
The InChIKey is YEAFXVNZLPPZIW-LCYFTJDESA-N. The full InChI is InChI=1S/C9H6Cl3NO2/c10-5-8(14)15-13-9(12)6-3-1-2-4-7(6)11/h1-4H,5H2/b13-9-.
What are the key properties of [(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate?
[(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate has a molecular weight of 266.51 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate is sourced from PubChem (CID 21439652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).