2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid

C23H22FNO3 — CID 25159484

IUPAC2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(F)cc3C2)c1C1=CCCC1
InChIInChI=1S/C23H22FNO3/c1-14-5-4-8-19(20(14)15-6-2-3-7-15)21(26)25-23(22(27)28)12-16-9-10-18(24)11-17(16)13-23/h4-6,8-11H,2-3,7,12-13H2,1H3,(H,25,26)(H,27,28)
InChIKeySSCNSRFCMRTGIA-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.05
Rot. Bonds4

About 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid

2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid (PubChem CID 25159484) has the molecular formula C23H22FNO3 and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid
PubChem CID25159484
Molecular FormulaC23H22FNO3
Molecular Weight379.43 g/mol
Exact Mass379.16
IUPAC Name2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(F)cc3C2)c1C1=CCCC1
InChIInChI=1S/C23H22FNO3/c1-14-5-4-8-19(20(14)15-6-2-3-7-15)21(26)25-23(22(27)28)12-16-9-10-18(24)11-17(16)13-23/h4-6,8-11H,2-3,7,12-13H2,1H3,(H,25,26)(H,27,28)
InChIKeySSCNSRFCMRTGIA-UHFFFAOYSA-N
XLogP4.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid (CID 25159484) is 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid is Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(F)cc3C2)c1C1=CCCC1.
What is the InChIKey of 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is SSCNSRFCMRTGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO3/c1-14-5-4-8-19(20(14)15-6-2-3-7-15)21(26)25-23(22(27)28)12-16-9-10-18(24)11-17(16)13-23/h4-6,8-11H,2-3,7,12-13H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid?
2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 379.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 25159484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).