[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate

C14H10ClFN2O2 — CID 5344799

IUPAC[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate
SMILESN/C(=N\OC(=O)c1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClFN2O2/c15-10-7-5-9(6-8-10)13(17)18-20-14(19)11-3-1-2-4-12(11)16/h1-8H,(H2,17,18)
InChIKeyWPXKIPIKKGIUKX-UHFFFAOYSA-N
MW292.70 g/mol
LogP2.96
Rot. Bonds3

About [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate

[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate (PubChem CID 5344799) has the molecular formula C14H10ClFN2O2 and a molecular weight of 292.70 g/mol. Its IUPAC name is [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate.

Molecular Properties

Compound Name[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate
PubChem CID5344799
Molecular FormulaC14H10ClFN2O2
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Name[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate
SMILESN/C(=N\OC(=O)c1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClFN2O2/c15-10-7-5-9(6-8-10)13(17)18-20-14(19)11-3-1-2-4-12(11)16/h1-8H,(H2,17,18)
InChIKeyWPXKIPIKKGIUKX-UHFFFAOYSA-N
XLogP2.96
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate?
The IUPAC name of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate (CID 5344799) is [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate.
What is the SMILES notation for [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate?
The canonical SMILES for [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate is N/C(=N\OC(=O)c1ccccc1F)c1ccc(Cl)cc1.
What is the InChIKey of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate?
The InChIKey is WPXKIPIKKGIUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2/c15-10-7-5-9(6-8-10)13(17)18-20-14(19)11-3-1-2-4-12(11)16/h1-8H,(H2,17,18).
What are the key properties of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate?
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate has a molecular weight of 292.70 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-fluorobenzoate is sourced from PubChem (CID 5344799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).