2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide

C15H15FN2O2 — CID 87170300

IUPAC2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide
SMILESNC(=O)c1c(C/C=N/OCCF)ccc2ccccc12
InChIInChI=1S/C15H15FN2O2/c16-8-10-20-18-9-7-12-6-5-11-3-1-2-4-13(11)14(12)15(17)19/h1-6,9H,7-8,10H2,(H2,17,19)/b18-9+
InChIKeyXOLGXFRODZDJMV-GIJQJNRQSA-N
MW274.30 g/mol
LogP2.45
Rot. Bonds6

About 2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide

2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide (PubChem CID 87170300) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide
PubChem CID87170300
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide
SMILESNC(=O)c1c(C/C=N/OCCF)ccc2ccccc12
InChIInChI=1S/C15H15FN2O2/c16-8-10-20-18-9-7-12-6-5-11-3-1-2-4-13(11)14(12)15(17)19/h1-6,9H,7-8,10H2,(H2,17,19)/b18-9+
InChIKeyXOLGXFRODZDJMV-GIJQJNRQSA-N
XLogP2.45
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide?
The IUPAC name of 2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide (CID 87170300) is 2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide is NC(=O)c1c(C/C=N/OCCF)ccc2ccccc12.
What is the InChIKey of 2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide?
The InChIKey is XOLGXFRODZDJMV-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-8-10-20-18-9-7-12-6-5-11-3-1-2-4-13(11)14(12)15(17)19/h1-6,9H,7-8,10H2,(H2,17,19)/b18-9+.
What are the key properties of 2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide?
2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 87170300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).