[(Z)-[amino-(4-methylphenyl)methylidene]amino] 4-fluorobenzoate

C15H13FN2O2 — CID 5344902

IUPAC[(Z)-[amino-(4-methylphenyl)methylidene]amino] 4-fluorobenzoate
SMILESCc1ccc(/C(N)=N/OC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN2O2/c1-10-2-4-11(5-3-10)14(17)18-20-15(19)12-6-8-13(16)9-7-12/h2-9H,1H3,(H2,17,18)
InChIKeyUHOUTQDPMVNNCK-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.61
Rot. Bonds3

About [(Z)-[amino-(4-methylphenyl)methylidene]amino] 4-fluorobenzoate

[(Z)-[amino-(4-methylphenyl)methylidene]amino] 4-fluorobenzoate (PubChem CID 5344902) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is [(Z)-[amino-(4-methylphenyl)methylidene]amino] 4-fluorobenzoate.

Molecular Properties

Compound Name[(Z)-[amino-(4-methylphenyl)methylidene]amino] 4-fluorobenzoate
PubChem CID5344902
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name[(Z)-[amino-(4-methylphenyl)methylidene]amino] 4-fluorobenzoate
SMILESCc1ccc(/C(N)=N/OC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN2O2/c1-10-2-4-11(5-3-10)14(17)18-20-15(19)12-6-8-13(16)9-7-12/h2-9H,1H3,(H2,17,18)
InChIKeyUHOUTQDPMVNNCK-UHFFFAOYSA-N
XLogP2.61
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.61
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-methylphenyl)methylidene]amino] 4-fluorobenzoate?
The IUPAC name of [(Z)-[amino-(4-methylphenyl)methylidene]amino] 4-fluorobenzoate (CID 5344902) is [(Z)-[amino-(4-methylphenyl)methylidene]amino] 4-fluorobenzoate.
What is the SMILES notation for [(Z)-[amino-(4-methylphenyl)methylidene]amino] 4-fluorobenzoate?
The canonical SMILES for [(Z)-[amino-(4-methylphenyl)methylidene]amino] 4-fluorobenzoate is Cc1ccc(/C(N)=N/OC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [(Z)-[amino-(4-methylphenyl)methylidene]amino] 4-fluorobenzoate?
The InChIKey is UHOUTQDPMVNNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-10-2-4-11(5-3-10)14(17)18-20-15(19)12-6-8-13(16)9-7-12/h2-9H,1H3,(H2,17,18).
What are the key properties of [(Z)-[amino-(4-methylphenyl)methylidene]amino] 4-fluorobenzoate?
[(Z)-[amino-(4-methylphenyl)methylidene]amino] 4-fluorobenzoate has a molecular weight of 272.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-methylphenyl)methylidene]amino] 4-fluorobenzoate is sourced from PubChem (CID 5344902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).