5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

C21H20FNO3 — CID 25159363

IUPAC5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccc(F)cc2C1)c1cccc2c1CCCC2
InChIInChI=1S/C21H20FNO3/c22-16-9-8-14-11-21(20(25)26,12-15(14)10-16)23-19(24)18-7-3-5-13-4-1-2-6-17(13)18/h3,5,7-10H,1-2,4,6,11-12H2,(H,23,24)(H,25,26)
InChIKeyJGVKSNVSVQTRCR-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.06
Rot. Bonds3

About 5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 25159363) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID25159363
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccc(F)cc2C1)c1cccc2c1CCCC2
InChIInChI=1S/C21H20FNO3/c22-16-9-8-14-11-21(20(25)26,12-15(14)10-16)23-19(24)18-7-3-5-13-4-1-2-6-17(13)18/h3,5,7-10H,1-2,4,6,11-12H2,(H,23,24)(H,25,26)
InChIKeyJGVKSNVSVQTRCR-UHFFFAOYSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (CID 25159363) is 5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is O=C(NC1(C(=O)O)Cc2ccc(F)cc2C1)c1cccc2c1CCCC2.
What is the InChIKey of 5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is JGVKSNVSVQTRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c22-16-9-8-14-11-21(20(25)26,12-15(14)10-16)23-19(24)18-7-3-5-13-4-1-2-6-17(13)18/h3,5,7-10H,1-2,4,6,11-12H2,(H,23,24)(H,25,26).
What are the key properties of 5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 353.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 25159363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).