(3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate

C17H14FNO2 — CID 1489353

IUPAC(3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate
SMILESO=C(ON=C1CCCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C17H14FNO2/c18-14-10-8-13(9-11-14)17(20)21-19-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11H,3,5,7H2
InChIKeyDLGPJPAZWZLENV-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.72
Rot. Bonds2

About (3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate

(3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate (PubChem CID 1489353) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is (3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate.

Molecular Properties

Compound Name(3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate
PubChem CID1489353
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name(3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate
SMILESO=C(ON=C1CCCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C17H14FNO2/c18-14-10-8-13(9-11-14)17(20)21-19-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11H,3,5,7H2
InChIKeyDLGPJPAZWZLENV-UHFFFAOYSA-N
XLogP3.72
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.72
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 (3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate?
The IUPAC name of (3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate (CID 1489353) is (3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate.
What is the SMILES notation for (3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate?
The canonical SMILES for (3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate is O=C(ON=C1CCCc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of (3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate?
The InChIKey is DLGPJPAZWZLENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-14-10-8-13(9-11-14)17(20)21-19-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11H,3,5,7H2.
What are the key properties of (3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate?
(3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate has a molecular weight of 283.30 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-fluorobenzoate is sourced from PubChem (CID 1489353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).