2-(3-benzoylindol-1-yl)acetic acid

C17H13NO3 — CID 1096013

IUPAC2-(3-benzoylindol-1-yl)acetic acid
SMILESO=C(O)Cn1cc(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C17H13NO3/c19-16(20)11-18-10-14(13-8-4-5-9-15(13)18)17(21)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,20)
InChIKeyABRIIGBCLCUGJQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.96
Rot. Bonds4

About 2-(3-benzoylindol-1-yl)acetic acid

2-(3-benzoylindol-1-yl)acetic acid (PubChem CID 1096013) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(3-benzoylindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-benzoylindol-1-yl)acetic acid
PubChem CID1096013
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-(3-benzoylindol-1-yl)acetic acid
SMILESO=C(O)Cn1cc(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C17H13NO3/c19-16(20)11-18-10-14(13-8-4-5-9-15(13)18)17(21)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,20)
InChIKeyABRIIGBCLCUGJQ-UHFFFAOYSA-N
XLogP2.96
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylindol-1-yl)acetic acid?
The IUPAC name of 2-(3-benzoylindol-1-yl)acetic acid (CID 1096013) is 2-(3-benzoylindol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-benzoylindol-1-yl)acetic acid?
The canonical SMILES for 2-(3-benzoylindol-1-yl)acetic acid is O=C(O)Cn1cc(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-benzoylindol-1-yl)acetic acid?
The InChIKey is ABRIIGBCLCUGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-16(20)11-18-10-14(13-8-4-5-9-15(13)18)17(21)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,20).
What are the key properties of 2-(3-benzoylindol-1-yl)acetic acid?
2-(3-benzoylindol-1-yl)acetic acid has a molecular weight of 279.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylindol-1-yl)acetic acid is sourced from PubChem (CID 1096013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).