2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid

C17H15NO3 — CID 2810924

IUPAC2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C17H15NO3/c19-16(14-7-3-4-8-15(14)17(20)21)18-13-9-11-5-1-2-6-12(11)10-13/h1-8,13H,9-10H2,(H,18,19)(H,20,21)
InChIKeyDORQNKVGNQGYTC-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.28
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid

2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid (PubChem CID 2810924) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid
PubChem CID2810924
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C17H15NO3/c19-16(14-7-3-4-8-15(14)17(20)21)18-13-9-11-5-1-2-6-12(11)10-13/h1-8,13H,9-10H2,(H,18,19)(H,20,21)
InChIKeyDORQNKVGNQGYTC-UHFFFAOYSA-N
XLogP2.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-{[(2-Hydroxy-2-phenylethyl)amino]carbonyl}benzoic acid
CID 2812763
2-{[(2-Oxo-3-azepanyl)amino]carbonyl}benzoic acid
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2-[(1,2,3,4-Tetrahydronaphthalen-1-ylamino)carbonyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid (CID 2810924) is 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid is O=C(O)c1ccccc1C(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid?
The InChIKey is DORQNKVGNQGYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16(14-7-3-4-8-15(14)17(20)21)18-13-9-11-5-1-2-6-12(11)10-13/h1-8,13H,9-10H2,(H,18,19)(H,20,21).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid?
2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid has a molecular weight of 281.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 2810924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).