1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide

C11H11FN2O3 — CID 140522420

IUPAC1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide
SMILESCc1cccc2c1C(=O)NC2(OCF)C(N)=O
InChIInChI=1S/C11H11FN2O3/c1-6-3-2-4-7-8(6)9(15)14-11(7,10(13)16)17-5-12/h2-4H,5H2,1H3,(H2,13,16)(H,14,15)
InChIKeyWNYTUSHVRGJZBZ-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.32
Rot. Bonds3

About 1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide

1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide (PubChem CID 140522420) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide.

Molecular Properties

Compound Name1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide
PubChem CID140522420
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide
SMILESCc1cccc2c1C(=O)NC2(OCF)C(N)=O
InChIInChI=1S/C11H11FN2O3/c1-6-3-2-4-7-8(6)9(15)14-11(7,10(13)16)17-5-12/h2-4H,5H2,1H3,(H2,13,16)(H,14,15)
InChIKeyWNYTUSHVRGJZBZ-UHFFFAOYSA-N
XLogP0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide?
The IUPAC name of 1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide (CID 140522420) is 1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide.
What is the SMILES notation for 1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide?
The canonical SMILES for 1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide is Cc1cccc2c1C(=O)NC2(OCF)C(N)=O.
What is the InChIKey of 1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide?
The InChIKey is WNYTUSHVRGJZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-6-3-2-4-7-8(6)9(15)14-11(7,10(13)16)17-5-12/h2-4H,5H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide?
1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide has a molecular weight of 238.22 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-4-methyl-3-oxo-2H-isoindole-1-carboxamide is sourced from PubChem (CID 140522420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).