2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

C19H16N2O3 — CID 59314163

IUPAC2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2[nH]ccc12
InChIInChI=1S/C19H16N2O3/c22-17(15-6-3-7-16-14(15)8-9-20-16)21-19(18(23)24)10-12-4-1-2-5-13(12)11-19/h1-9,20H,10-11H2,(H,21,22)(H,23,24)
InChIKeyKCVWEYMBBSJPEG-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.52
Rot. Bonds3

About 2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59314163) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID59314163
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2[nH]ccc12
InChIInChI=1S/C19H16N2O3/c22-17(15-6-3-7-16-14(15)8-9-20-16)21-19(18(23)24)10-12-4-1-2-5-13(12)11-19/h1-9,20H,10-11H2,(H,21,22)(H,23,24)
InChIKeyKCVWEYMBBSJPEG-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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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide
CID 115878331
N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide
CID 115759557
1H-indole-4-carbohydrazide
CID 43316644
N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-4-carboxamide
CID 20872294
2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 25160922
3-(naphthalene-1-carbonylamino)-2,4-dihydrochromene-3-carboxylic acid
CID 167849067
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide
CID 91132074
N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide
CID 61275040
2-[(2-cyclopentyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 25160673
N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82765655

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (CID 59314163) is 2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2[nH]ccc12.
What is the InChIKey of 2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is KCVWEYMBBSJPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-17(15-6-3-7-16-14(15)8-9-20-16)21-19(18(23)24)10-12-4-1-2-5-13(12)11-19/h1-9,20H,10-11H2,(H,21,22)(H,23,24).
What are the key properties of 2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
2-(1H-indole-4-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-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59314163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).