[(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate

C16H13Cl2NO3 — CID 5398332

IUPAC[(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate
SMILESCc1ccc(/C=N\OC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H13Cl2NO3/c1-11-2-4-12(5-3-11)9-19-22-16(20)10-21-15-7-6-13(17)8-14(15)18/h2-9H,10H2,1H3/b19-9-
InChIKeyWQEQKOCMKPFGJC-OCKHKDLRSA-N
MW338.19 g/mol
LogP4.26
Rot. Bonds5

About [(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate

[(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 5398332) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is [(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate
PubChem CID5398332
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name[(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate
SMILESCc1ccc(/C=N\OC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H13Cl2NO3/c1-11-2-4-12(5-3-11)9-19-22-16(20)10-21-15-7-6-13(17)8-14(15)18/h2-9H,10H2,1H3/b19-9-
InChIKeyWQEQKOCMKPFGJC-OCKHKDLRSA-N
XLogP4.26
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
CID 175220650
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536086
2-(2,5-dichlorophenoxy)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 19189880
ethenyl 2-(2,4-dichlorophenoxy)acetate
CID 11806970
[(E)-(4-methylphenyl)methylideneamino] 4-chlorobenzoate
CID 6894030
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249
carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
CID 16657721
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
propan-2-yl 2-[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 40988895
[[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
CID 170771225

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate (CID 5398332) is [(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate is Cc1ccc(/C=N\OC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is WQEQKOCMKPFGJC-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-11-2-4-12(5-3-11)9-19-22-16(20)10-21-15-7-6-13(17)8-14(15)18/h2-9H,10H2,1H3/b19-9-.
What are the key properties of [(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate?
[(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 338.19 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-methylphenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 5398332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).