2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide

C20H19FN2O3 — CID 2974758

IUPAC2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C20H19FN2O3/c1-26-11-10-22-19(24)13-23-12-16(14-6-3-5-9-18(14)23)20(25)15-7-2-4-8-17(15)21/h2-9,12H,10-11,13H2,1H3,(H,22,24)
InChIKeyFAHNOYNSSSFDRI-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.77
Rot. Bonds7

About 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide

2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 2974758) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID2974758
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C20H19FN2O3/c1-26-11-10-22-19(24)13-23-12-16(14-6-3-5-9-18(14)23)20(25)15-7-2-4-8-17(15)21/h2-9,12H,10-11,13H2,1H3,(H,22,24)
InChIKeyFAHNOYNSSSFDRI-UHFFFAOYSA-N
XLogP2.77
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide (CID 2974758) is 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21.
What is the InChIKey of 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is FAHNOYNSSSFDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-26-11-10-22-19(24)13-23-12-16(14-6-3-5-9-18(14)23)20(25)15-7-2-4-8-17(15)21/h2-9,12H,10-11,13H2,1H3,(H,22,24).
What are the key properties of 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide?
2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 354.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 2974758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).