2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

C19H16N2O3 — CID 59314233

IUPAC2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2cc[nH]c12
InChIInChI=1S/C19H16N2O3/c22-17(15-7-3-6-12-8-9-20-16(12)15)21-19(18(23)24)10-13-4-1-2-5-14(13)11-19/h1-9,20H,10-11H2,(H,21,22)(H,23,24)
InChIKeyPJKRNEGHECUKBK-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.52
Rot. Bonds3

About 2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59314233) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID59314233
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2cc[nH]c12
InChIInChI=1S/C19H16N2O3/c22-17(15-7-3-6-12-8-9-20-16(12)15)21-19(18(23)24)10-13-4-1-2-5-14(13)11-19/h1-9,20H,10-11H2,(H,21,22)(H,23,24)
InChIKeyPJKRNEGHECUKBK-UHFFFAOYSA-N
XLogP2.52
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (CID 59314233) is 2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2cc[nH]c12.
What is the InChIKey of 2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is PJKRNEGHECUKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-17(15-7-3-6-12-8-9-20-16(12)15)21-19(18(23)24)10-13-4-1-2-5-14(13)11-19/h1-9,20H,10-11H2,(H,21,22)(H,23,24).
What are the key properties of 2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indole-7-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59314233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).