ethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate

C19H16FNO3 — CID 974001

IUPACethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C19H16FNO3/c1-2-24-18(22)12-21-11-15(13-7-4-6-10-17(13)21)19(23)14-8-3-5-9-16(14)20/h3-11H,2,12H2,1H3
InChIKeyDVEMXRNOYCOSKO-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.57
Rot. Bonds5

About ethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate

ethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate (PubChem CID 974001) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is ethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate
PubChem CID974001
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Nameethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C19H16FNO3/c1-2-24-18(22)12-21-11-15(13-7-4-6-10-17(13)21)19(23)14-8-3-5-9-16(14)20/h3-11H,2,12H2,1H3
InChIKeyDVEMXRNOYCOSKO-UHFFFAOYSA-N
XLogP3.57
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate (CID 974001) is ethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate is CCOC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21.
What is the InChIKey of ethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate?
The InChIKey is DVEMXRNOYCOSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-2-24-18(22)12-21-11-15(13-7-4-6-10-17(13)21)19(23)14-8-3-5-9-16(14)20/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate?
ethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate has a molecular weight of 325.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate is sourced from PubChem (CID 974001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).