2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid

C23H24N2O4 — CID 119108640

IUPAC2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(CC1(C(=O)O)Cc2ccccc2C1)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H24N2O4/c26-20(15-23(22(28)29)13-17-5-1-2-6-18(17)14-23)24-19-9-7-16(8-10-19)21(27)25-11-3-4-12-25/h1-2,5-10H,3-4,11-15H2,(H,24,26)(H,28,29)
InChIKeyUXJDTEXCODMDIX-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.12
Rot. Bonds5

About 2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid

2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 119108640) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID119108640
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(CC1(C(=O)O)Cc2ccccc2C1)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H24N2O4/c26-20(15-23(22(28)29)13-17-5-1-2-6-18(17)14-23)24-19-9-7-16(8-10-19)21(27)25-11-3-4-12-25/h1-2,5-10H,3-4,11-15H2,(H,24,26)(H,28,29)
InChIKeyUXJDTEXCODMDIX-UHFFFAOYSA-N
XLogP3.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
2-[2-[4-(methylsulfanylmethyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119109730
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119278060
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316
N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834026
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346
4-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)anilino]propyl]benzoic acid
CID 119180120
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid
CID 56800512

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid (CID 119108640) is 2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid is O=C(CC1(C(=O)O)Cc2ccccc2C1)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is UXJDTEXCODMDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-20(15-23(22(28)29)13-17-5-1-2-6-18(17)14-23)24-19-9-7-16(8-10-19)21(27)25-11-3-4-12-25/h1-2,5-10H,3-4,11-15H2,(H,24,26)(H,28,29).
What are the key properties of 2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid?
2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 392.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 119108640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).