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

C23H23NO3 — CID 25159486

IUPAC2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1C1=CCCC1
InChIInChI=1S/C23H23NO3/c1-15-7-6-12-19(20(15)16-8-2-3-9-16)21(25)24-23(22(26)27)13-17-10-4-5-11-18(17)14-23/h4-8,10-12H,2-3,9,13-14H2,1H3,(H,24,25)(H,26,27)
InChIKeyJMXZJWLQQXRYCF-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.91
Rot. Bonds4

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

2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 25159486) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID25159486
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1C1=CCCC1
InChIInChI=1S/C23H23NO3/c1-15-7-6-12-19(20(15)16-8-2-3-9-16)21(25)24-23(22(26)27)13-17-10-4-5-11-18(17)14-23/h4-8,10-12H,2-3,9,13-14H2,1H3,(H,24,25)(H,26,27)
InChIKeyJMXZJWLQQXRYCF-UHFFFAOYSA-N
XLogP3.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.91
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]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 25159486) is 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1C1=CCCC1.
What is the InChIKey of 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is JMXZJWLQQXRYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-15-7-6-12-19(20(15)16-8-2-3-9-16)21(25)24-23(22(26)27)13-17-10-4-5-11-18(17)14-23/h4-8,10-12H,2-3,9,13-14H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 361.44 g/mol, XLogP of 3.91, 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]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 25159486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).