[(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate

C16H13Cl2NO2 — CID 6000999

IUPAC[(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate
SMILESC/C(=N/OC(=O)c1ccccc1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NO2/c1-10-5-3-4-6-13(10)16(20)21-19-11(2)14-8-7-12(17)9-15(14)18/h3-9H,1-2H3/b19-11-
InChIKeyILIWDVWNVRNPQB-ODLFYWEKSA-N
MW322.19 g/mol
LogP4.88
Rot. Bonds3

About [(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate

[(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate (PubChem CID 6000999) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is [(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate.

Molecular Properties

Compound Name[(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate
PubChem CID6000999
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name[(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate
SMILESC/C(=N/OC(=O)c1ccccc1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NO2/c1-10-5-3-4-6-13(10)16(20)21-19-11(2)14-8-7-12(17)9-15(14)18/h3-9H,1-2H3/b19-11-
InChIKeyILIWDVWNVRNPQB-ODLFYWEKSA-N
XLogP4.88
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.88
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate?
The IUPAC name of [(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate (CID 6000999) is [(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate.
What is the SMILES notation for [(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate?
The canonical SMILES for [(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate is C/C(=N/OC(=O)c1ccccc1C)c1ccc(Cl)cc1Cl.
What is the InChIKey of [(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate?
The InChIKey is ILIWDVWNVRNPQB-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c1-10-5-3-4-6-13(10)16(20)21-19-11(2)14-8-7-12(17)9-15(14)18/h3-9H,1-2H3/b19-11-.
What are the key properties of [(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate?
[(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate has a molecular weight of 322.19 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(2,4-dichlorophenyl)ethylideneamino] 2-methylbenzoate is sourced from PubChem (CID 6000999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).