N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide

C17H13FN2O2 — CID 18368049

IUPACN-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide
SMILESCC(=O)Nc1c(C(=O)c2ccccc2)[nH]c2cc(F)ccc12
InChIInChI=1S/C17H13FN2O2/c1-10(21)19-15-13-8-7-12(18)9-14(13)20-16(15)17(22)11-5-3-2-4-6-11/h2-9,20H,1H3,(H,19,21)
InChIKeyZQWOWEOTEUHMDE-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.50
Rot. Bonds3

About N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide

N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide (PubChem CID 18368049) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide
PubChem CID18368049
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC NameN-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide
SMILESCC(=O)Nc1c(C(=O)c2ccccc2)[nH]c2cc(F)ccc12
InChIInChI=1S/C17H13FN2O2/c1-10(21)19-15-13-8-7-12(18)9-14(13)20-16(15)17(22)11-5-3-2-4-6-11/h2-9,20H,1H3,(H,19,21)
InChIKeyZQWOWEOTEUHMDE-UHFFFAOYSA-N
XLogP3.50
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide?
The IUPAC name of N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide (CID 18368049) is N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide is CC(=O)Nc1c(C(=O)c2ccccc2)[nH]c2cc(F)ccc12.
What is the InChIKey of N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide?
The InChIKey is ZQWOWEOTEUHMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-10(21)19-15-13-8-7-12(18)9-14(13)20-16(15)17(22)11-5-3-2-4-6-11/h2-9,20H,1H3,(H,19,21).
What are the key properties of N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide?
N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide has a molecular weight of 296.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 18368049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).