5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid

C17H15NO3 — CID 23459753

IUPAC5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESNc1ccc(C(=O)c2ccc3c(c2)CC(C(=O)O)C3)cc1
InChIInChI=1S/C17H15NO3/c18-15-5-3-10(4-6-15)16(19)12-2-1-11-7-14(17(20)21)9-13(11)8-12/h1-6,8,14H,7,9,18H2,(H,20,21)
InChIKeyGUAYTFRCWMRPCA-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.30
Rot. Bonds3

About 5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid

5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 23459753) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID23459753
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESNc1ccc(C(=O)c2ccc3c(c2)CC(C(=O)O)C3)cc1
InChIInChI=1S/C17H15NO3/c18-15-5-3-10(4-6-15)16(19)12-2-1-11-7-14(17(20)21)9-13(11)8-12/h1-6,8,14H,7,9,18H2,(H,20,21)
InChIKeyGUAYTFRCWMRPCA-UHFFFAOYSA-N
XLogP2.30
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid (CID 23459753) is 5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid is Nc1ccc(C(=O)c2ccc3c(c2)CC(C(=O)O)C3)cc1.
What is the InChIKey of 5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is GUAYTFRCWMRPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c18-15-5-3-10(4-6-15)16(19)12-2-1-11-7-14(17(20)21)9-13(11)8-12/h1-6,8,14H,7,9,18H2,(H,20,21).
What are the key properties of 5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobenzoyl)-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 23459753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).