5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

C21H22FNO4 — CID 25160540

IUPAC5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(F)cc3C2)c1OC(C)C
InChIInChI=1S/C21H22FNO4/c1-12(2)27-18-13(3)5-4-6-17(18)19(24)23-21(20(25)26)10-14-7-8-16(22)9-15(14)11-21/h4-9,12H,10-11H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyJJAGIHLMZAAAQP-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.27
Rot. Bonds5

About 5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 25160540) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is 5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID25160540
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Name5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(F)cc3C2)c1OC(C)C
InChIInChI=1S/C21H22FNO4/c1-12(2)27-18-13(3)5-4-6-17(18)19(24)23-21(20(25)26)10-14-7-8-16(22)9-15(14)11-21/h4-9,12H,10-11H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyJJAGIHLMZAAAQP-UHFFFAOYSA-N
XLogP3.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid (CID 25160540) is 5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid is Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(F)cc3C2)c1OC(C)C.
What is the InChIKey of 5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is JJAGIHLMZAAAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO4/c1-12(2)27-18-13(3)5-4-6-17(18)19(24)23-21(20(25)26)10-14-7-8-16(22)9-15(14)11-21/h4-9,12H,10-11H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 371.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 25160540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).