ethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate

C23H20FNO4 — CID 59314215

IUPACethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cc(F)c3ccccc3c2O)Cc2ccccc2C1
InChIInChI=1S/C23H20FNO4/c1-2-29-22(28)23(12-14-7-3-4-8-15(14)13-23)25-21(27)18-11-19(24)16-9-5-6-10-17(16)20(18)26/h3-11,26H,2,12-13H2,1H3,(H,25,27)
InChIKeyBZDCSENCAMXEDN-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.52
Rot. Bonds4

About ethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate

ethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 59314215) has the molecular formula C23H20FNO4 and a molecular weight of 393.41 g/mol. Its IUPAC name is ethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate
PubChem CID59314215
Molecular FormulaC23H20FNO4
Molecular Weight393.41 g/mol
Exact Mass393.14
IUPAC Nameethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cc(F)c3ccccc3c2O)Cc2ccccc2C1
InChIInChI=1S/C23H20FNO4/c1-2-29-22(28)23(12-14-7-3-4-8-15(14)13-23)25-21(27)18-11-19(24)16-9-5-6-10-17(16)20(18)26/h3-11,26H,2,12-13H2,1H3,(H,25,27)
InChIKeyBZDCSENCAMXEDN-UHFFFAOYSA-N
XLogP3.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate (CID 59314215) is ethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(NC(=O)c2cc(F)c3ccccc3c2O)Cc2ccccc2C1.
What is the InChIKey of ethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is BZDCSENCAMXEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO4/c1-2-29-22(28)23(12-14-7-3-4-8-15(14)13-23)25-21(27)18-11-19(24)16-9-5-6-10-17(16)20(18)26/h3-11,26H,2,12-13H2,1H3,(H,25,27).
What are the key properties of ethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate?
ethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 393.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 59314215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).