5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

C21H20FNO3 — CID 25160800

IUPAC5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESC/C=C/c1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1
InChIInChI=1S/C21H20FNO3/c1-3-5-17-13(2)6-4-7-18(17)19(24)23-21(20(25)26)11-14-8-9-16(22)10-15(14)12-21/h3-10H,11-12H2,1-2H3,(H,23,24)(H,25,26)/b5-3+
InChIKeyRCKNFKFXUYXQGD-HWKANZROSA-N
MW353.39 g/mol
LogP3.52
Rot. Bonds4

About 5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 25160800) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID25160800
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESC/C=C/c1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1
InChIInChI=1S/C21H20FNO3/c1-3-5-17-13(2)6-4-7-18(17)19(24)23-21(20(25)26)11-14-8-9-16(22)10-15(14)12-21/h3-10H,11-12H2,1-2H3,(H,23,24)(H,25,26)/b5-3+
InChIKeyRCKNFKFXUYXQGD-HWKANZROSA-N
XLogP3.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 25160800) is 5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is C/C=C/c1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1.
What is the InChIKey of 5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is RCKNFKFXUYXQGD-HWKANZROSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-3-5-17-13(2)6-4-7-18(17)19(24)23-21(20(25)26)11-14-8-9-16(22)10-15(14)12-21/h3-10H,11-12H2,1-2H3,(H,23,24)(H,25,26)/b5-3+.
What are the key properties of 5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 353.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 25160800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).