[(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate

C9H7Cl2NO2 — CID 88744854

IUPAC[(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate
SMILESCC(=O)O/N=C(/Cl)c1ccccc1Cl
InChIInChI=1S/C9H7Cl2NO2/c1-6(13)14-12-9(11)7-4-2-3-5-8(7)10/h2-5H,1H3/b12-9+
InChIKeyOBZZCWRKUKZBSR-FMIVXFBMSA-N
MW232.07 g/mol
LogP2.80
Rot. Bonds2

About [(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate

[(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate (PubChem CID 88744854) has the molecular formula C9H7Cl2NO2 and a molecular weight of 232.07 g/mol. Its IUPAC name is [(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate
PubChem CID88744854
Molecular FormulaC9H7Cl2NO2
Molecular Weight232.07 g/mol
Exact Mass230.99
IUPAC Name[(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate
SMILESCC(=O)O/N=C(/Cl)c1ccccc1Cl
InChIInChI=1S/C9H7Cl2NO2/c1-6(13)14-12-9(11)7-4-2-3-5-8(7)10/h2-5H,1H3/b12-9+
InChIKeyOBZZCWRKUKZBSR-FMIVXFBMSA-N
XLogP2.80
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-[chloro-(2-chlorophenyl)methylidene]amino] 2-chloroacetate
CID 21439652
[(Z)-1-(2-methylphenyl)ethylideneamino] acetate
CID 118122967
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
[[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate
CID 123627985
[(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate
CID 88820123
[(E)-1-phenylethylideneamino] acetate
CID 5392489
[[amino-(2-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 2876644
[(E)-(2,6-dichlorophenyl)methylideneamino] acetate
CID 165348151
[(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate
CID 5395427
1-acetyloxyethyl 2-chlorobenzoate
CID 122391489
[(E)-1-(3,4-dichlorophenyl)ethylideneamino] acetate
CID 138968191
(2,3,4,5,6-pentafluorophenyl) 2-chlorobenzoate
CID 71348420

Frequently Asked Questions

What is the IUPAC name of [(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate?
The IUPAC name of [(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate (CID 88744854) is [(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate.
What is the SMILES notation for [(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate?
The canonical SMILES for [(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate is CC(=O)O/N=C(/Cl)c1ccccc1Cl.
What is the InChIKey of [(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate?
The InChIKey is OBZZCWRKUKZBSR-FMIVXFBMSA-N. The full InChI is InChI=1S/C9H7Cl2NO2/c1-6(13)14-12-9(11)7-4-2-3-5-8(7)10/h2-5H,1H3/b12-9+.
What are the key properties of [(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate?
[(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate has a molecular weight of 232.07 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate is sourced from PubChem (CID 88744854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).