[(E)-(4-fluorophenyl)methylideneamino] benzoate

C14H10FNO2 — CID 11368513

IUPAC[(E)-(4-fluorophenyl)methylideneamino] benzoate
SMILESO=C(O/N=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H10FNO2/c15-13-8-6-11(7-9-13)10-16-18-14(17)12-4-2-1-3-5-12/h1-10H/b16-10+
InChIKeyDIEBAKUPBFEXAP-MHWRWJLKSA-N
MW243.24 g/mol
LogP3.02
Rot. Bonds3

About [(E)-(4-fluorophenyl)methylideneamino] benzoate

[(E)-(4-fluorophenyl)methylideneamino] benzoate (PubChem CID 11368513) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is [(E)-(4-fluorophenyl)methylideneamino] benzoate.

Molecular Properties

Compound Name[(E)-(4-fluorophenyl)methylideneamino] benzoate
PubChem CID11368513
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name[(E)-(4-fluorophenyl)methylideneamino] benzoate
SMILESO=C(O/N=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H10FNO2/c15-13-8-6-11(7-9-13)10-16-18-14(17)12-4-2-1-3-5-12/h1-10H/b16-10+
InChIKeyDIEBAKUPBFEXAP-MHWRWJLKSA-N
XLogP3.02
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.02
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 [(E)-(4-fluorophenyl)methylideneamino] benzoate?
The IUPAC name of [(E)-(4-fluorophenyl)methylideneamino] benzoate (CID 11368513) is [(E)-(4-fluorophenyl)methylideneamino] benzoate.
What is the SMILES notation for [(E)-(4-fluorophenyl)methylideneamino] benzoate?
The canonical SMILES for [(E)-(4-fluorophenyl)methylideneamino] benzoate is O=C(O/N=C/c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [(E)-(4-fluorophenyl)methylideneamino] benzoate?
The InChIKey is DIEBAKUPBFEXAP-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H10FNO2/c15-13-8-6-11(7-9-13)10-16-18-14(17)12-4-2-1-3-5-12/h1-10H/b16-10+.
What are the key properties of [(E)-(4-fluorophenyl)methylideneamino] benzoate?
[(E)-(4-fluorophenyl)methylideneamino] benzoate has a molecular weight of 243.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-fluorophenyl)methylideneamino] benzoate is sourced from PubChem (CID 11368513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).