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

C18H14FNO3 — CID 1095466

IUPACmethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C18H14FNO3/c1-23-17(21)11-20-10-14(12-6-3-5-9-16(12)20)18(22)13-7-2-4-8-15(13)19/h2-10H,11H2,1H3
InChIKeyBYUHZRRFLRWDAR-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.18
Rot. Bonds4

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

methyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate (PubChem CID 1095466) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is methyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate
PubChem CID1095466
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Namemethyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C18H14FNO3/c1-23-17(21)11-20-10-14(12-6-3-5-9-16(12)20)18(22)13-7-2-4-8-15(13)19/h2-10H,11H2,1H3
InChIKeyBYUHZRRFLRWDAR-UHFFFAOYSA-N
XLogP3.18
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate?
The IUPAC name of methyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate (CID 1095466) is methyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate is COC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21.
What is the InChIKey of methyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate?
The InChIKey is BYUHZRRFLRWDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-23-17(21)11-20-10-14(12-6-3-5-9-16(12)20)18(22)13-7-2-4-8-15(13)19/h2-10H,11H2,1H3.
What are the key properties of methyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate?
methyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate has a molecular weight of 311.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-fluorobenzoyl)indol-1-yl]acetate is sourced from PubChem (CID 1095466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).