[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate

C15H12Cl2N2O3 — CID 5349145

IUPAC[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate
SMILESCOc1ccc(/C(N)=N/OC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2N2O3/c1-21-11-5-2-9(3-6-11)14(18)19-22-15(20)12-7-4-10(16)8-13(12)17/h2-8H,1H3,(H2,18,19)
InChIKeySRPCCVXIEGXEQI-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.48
Rot. Bonds4

About [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate

[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate (PubChem CID 5349145) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate
PubChem CID5349145
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate
SMILESCOc1ccc(/C(N)=N/OC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2N2O3/c1-21-11-5-2-9(3-6-11)14(18)19-22-15(20)12-7-4-10(16)8-13(12)17/h2-8H,1H3,(H2,18,19)
InChIKeySRPCCVXIEGXEQI-UHFFFAOYSA-N
XLogP3.48
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate 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

[[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dimethoxybenzoate
CID 3296382
[[amino-(4-methoxyphenyl)methylidene]amino] 2,5-dichloropyridine-3-carboxylate
CID 2800140
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-dimethoxybenzoate
CID 19293781
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate
CID 46500526
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate
CID 19293785
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
[(Z)-[amino-(4-bromophenyl)methylidene]amino] 2,4-dimethoxybenzoate
CID 17380483
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 4-iodobenzoate
CID 5349115
[[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate
CID 73398027
[[amino(pyridin-1-ium-4-yl)methylidene]amino] 4-methoxybenzoate
CID 135432059
[[amino(pyridin-1-ium-2-yl)methylidene]amino] 2,4-dichlorobenzoate
CID 135443260
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate
CID 19292090

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate?
The IUPAC name of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate (CID 5349145) is [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate.
What is the SMILES notation for [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate?
The canonical SMILES for [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate is COc1ccc(/C(N)=N/OC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate?
The InChIKey is SRPCCVXIEGXEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-21-11-5-2-9(3-6-11)14(18)19-22-15(20)12-7-4-10(16)8-13(12)17/h2-8H,1H3,(H2,18,19).
What are the key properties of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate?
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate has a molecular weight of 339.18 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate is sourced from PubChem (CID 5349145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).