2-(1-benzoyl-2-methylindol-3-yl)acetic acid

C18H15NO3 — CID 27860

IUPAC2-(1-benzoyl-2-methylindol-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccccc1
InChIInChI=1S/C18H15NO3/c1-12-15(11-17(20)21)14-9-5-6-10-16(14)19(12)18(22)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,21)
InChIKeyAZCOEIZFVQEQCU-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.27
Rot. Bonds3

About 2-(1-benzoyl-2-methylindol-3-yl)acetic acid

2-(1-benzoyl-2-methylindol-3-yl)acetic acid (PubChem CID 27860) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(1-benzoyl-2-methylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzoyl-2-methylindol-3-yl)acetic acid
PubChem CID27860
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-(1-benzoyl-2-methylindol-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccccc1
InChIInChI=1S/C18H15NO3/c1-12-15(11-17(20)21)14-9-5-6-10-16(14)19(12)18(22)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,21)
InChIKeyAZCOEIZFVQEQCU-UHFFFAOYSA-N
XLogP3.27
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoyl-2-methylindol-3-yl)acetic acid?
The IUPAC name of 2-(1-benzoyl-2-methylindol-3-yl)acetic acid (CID 27860) is 2-(1-benzoyl-2-methylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-benzoyl-2-methylindol-3-yl)acetic acid?
The canonical SMILES for 2-(1-benzoyl-2-methylindol-3-yl)acetic acid is Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccccc1.
What is the InChIKey of 2-(1-benzoyl-2-methylindol-3-yl)acetic acid?
The InChIKey is AZCOEIZFVQEQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-15(11-17(20)21)14-9-5-6-10-16(14)19(12)18(22)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 2-(1-benzoyl-2-methylindol-3-yl)acetic acid?
2-(1-benzoyl-2-methylindol-3-yl)acetic acid has a molecular weight of 293.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoyl-2-methylindol-3-yl)acetic acid is sourced from PubChem (CID 27860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).