2-[3-(2-fluorobenzoyl)indol-1-yl]-N-propan-2-ylacetamide

C20H19FN2O2 — CID 974000

IUPAC2-[3-(2-fluorobenzoyl)indol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C20H19FN2O2/c1-13(2)22-19(24)12-23-11-16(14-7-4-6-10-18(14)23)20(25)15-8-3-5-9-17(15)21/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyDMTGXHUZBFHITC-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.54
Rot. Bonds5

About 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-propan-2-ylacetamide

2-[3-(2-fluorobenzoyl)indol-1-yl]-N-propan-2-ylacetamide (PubChem CID 974000) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(2-fluorobenzoyl)indol-1-yl]-N-propan-2-ylacetamide
PubChem CID974000
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2-[3-(2-fluorobenzoyl)indol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C20H19FN2O2/c1-13(2)22-19(24)12-23-11-16(14-7-4-6-10-18(14)23)20(25)15-8-3-5-9-17(15)21/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyDMTGXHUZBFHITC-UHFFFAOYSA-N
XLogP3.54
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.54
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]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-propan-2-ylacetamide (CID 974000) is 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21.
What is the InChIKey of 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is DMTGXHUZBFHITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-13(2)22-19(24)12-23-11-16(14-7-4-6-10-18(14)23)20(25)15-8-3-5-9-17(15)21/h3-11,13H,12H2,1-2H3,(H,22,24).
What are the key properties of 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-propan-2-ylacetamide?
2-[3-(2-fluorobenzoyl)indol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 338.38 g/mol, XLogP of 3.54, 5 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]-N-propan-2-ylacetamide is sourced from PubChem (CID 974000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).