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

C14H10Cl2N2O2 — CID 5332708

IUPAC[(Z)-[amino(phenyl)methylidene]amino] 2,4-dichlorobenzoate
SMILESN/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2N2O2/c15-10-6-7-11(12(16)8-10)14(19)20-18-13(17)9-4-2-1-3-5-9/h1-8H,(H2,17,18)
InChIKeyAFSPDMVYLXZASM-UHFFFAOYSA-N
MW309.15 g/mol
LogP3.47
Rot. Bonds3

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

[(Z)-[amino(phenyl)methylidene]amino] 2,4-dichlorobenzoate (PubChem CID 5332708) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is [(Z)-[amino(phenyl)methylidene]amino] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[(Z)-[amino(phenyl)methylidene]amino] 2,4-dichlorobenzoate
PubChem CID5332708
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC Name[(Z)-[amino(phenyl)methylidene]amino] 2,4-dichlorobenzoate
SMILESN/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2N2O2/c15-10-6-7-11(12(16)8-10)14(19)20-18-13(17)9-4-2-1-3-5-9/h1-8H,(H2,17,18)
InChIKeyAFSPDMVYLXZASM-UHFFFAOYSA-N
XLogP3.47
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

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CID 5349217
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CID 9587500
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CID 9586795
CID 9586795
CID 5344886
CID 5344886
CID 9567277
CID 9567277
CID 5332683
CID 5332683
CID 9587475
CID 9587475
CID 9594348
CID 9594348
CID 5344799
CID 5344799
CID 2803953
CID 2803953
CID 258595
CID 258595

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] 2,4-dichlorobenzoate?
The IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] 2,4-dichlorobenzoate (CID 5332708) is [(Z)-[amino(phenyl)methylidene]amino] 2,4-dichlorobenzoate.
What is the SMILES notation for [(Z)-[amino(phenyl)methylidene]amino] 2,4-dichlorobenzoate?
The canonical SMILES for [(Z)-[amino(phenyl)methylidene]amino] 2,4-dichlorobenzoate is N/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of [(Z)-[amino(phenyl)methylidene]amino] 2,4-dichlorobenzoate?
The InChIKey is AFSPDMVYLXZASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/c15-10-6-7-11(12(16)8-10)14(19)20-18-13(17)9-4-2-1-3-5-9/h1-8H,(H2,17,18).
What are the key properties of [(Z)-[amino(phenyl)methylidene]amino] 2,4-dichlorobenzoate?
[(Z)-[amino(phenyl)methylidene]amino] 2,4-dichlorobenzoate has a molecular weight of 309.15 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(phenyl)methylidene]amino] 2,4-dichlorobenzoate is sourced from PubChem (CID 5332708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).