2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid

C17H12FNO3 — CID 1095469

IUPAC2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C17H12FNO3/c18-14-7-3-1-6-12(14)17(22)13-9-19(10-16(20)21)15-8-4-2-5-11(13)15/h1-9H,10H2,(H,20,21)
InChIKeyNHASAGPGXQZQKV-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.10
Rot. Bonds4

About 2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid

2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid (PubChem CID 1095469) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid
PubChem CID1095469
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Name2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C17H12FNO3/c18-14-7-3-1-6-12(14)17(22)13-9-19(10-16(20)21)15-8-4-2-5-11(13)15/h1-9H,10H2,(H,20,21)
InChIKeyNHASAGPGXQZQKV-UHFFFAOYSA-N
XLogP3.10
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid (CID 1095469) is 2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid is O=C(O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21.
What is the InChIKey of 2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid?
The InChIKey is NHASAGPGXQZQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c18-14-7-3-1-6-12(14)17(22)13-9-19(10-16(20)21)15-8-4-2-5-11(13)15/h1-9H,10H2,(H,20,21).
What are the key properties of 2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid?
2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid has a molecular weight of 297.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorobenzoyl)indol-1-yl]acetic acid is sourced from PubChem (CID 1095469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).