N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide

C11H11FN2O2 — CID 2952221

IUPACN-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide
SMILESCC(=O)NC1C(=O)N(C)c2ccc(F)cc21
InChIInChI=1S/C11H11FN2O2/c1-6(15)13-10-8-5-7(12)3-4-9(8)14(2)11(10)16/h3-5,10H,1-2H3,(H,13,15)
InChIKeyMSEVCGOLGWEMPP-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.98
Rot. Bonds1

About N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide

N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide (PubChem CID 2952221) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide
PubChem CID2952221
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC NameN-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide
SMILESCC(=O)NC1C(=O)N(C)c2ccc(F)cc21
InChIInChI=1S/C11H11FN2O2/c1-6(15)13-10-8-5-7(12)3-4-9(8)14(2)11(10)16/h3-5,10H,1-2H3,(H,13,15)
InChIKeyMSEVCGOLGWEMPP-UHFFFAOYSA-N
XLogP0.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide?
The IUPAC name of N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide (CID 2952221) is N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide?
The canonical SMILES for N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide is CC(=O)NC1C(=O)N(C)c2ccc(F)cc21.
What is the InChIKey of N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide?
The InChIKey is MSEVCGOLGWEMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-6(15)13-10-8-5-7(12)3-4-9(8)14(2)11(10)16/h3-5,10H,1-2H3,(H,13,15).
What are the key properties of N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide?
N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide has a molecular weight of 222.22 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide is sourced from PubChem (CID 2952221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).