4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide

C11H12FNO3 — CID 70864647

IUPAC4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide
SMILESCC(=O)COc1cc(C(N)=O)c(C)cc1F
InChIInChI=1S/C11H12FNO3/c1-6-3-9(12)10(16-5-7(2)14)4-8(6)11(13)15/h3-4H,5H2,1-2H3,(H2,13,15)
InChIKeyRJIDHEHPPLWEQK-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.20
Rot. Bonds4

About 4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide

4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide (PubChem CID 70864647) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide
PubChem CID70864647
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide
SMILESCC(=O)COc1cc(C(N)=O)c(C)cc1F
InChIInChI=1S/C11H12FNO3/c1-6-3-9(12)10(16-5-7(2)14)4-8(6)11(13)15/h3-4H,5H2,1-2H3,(H2,13,15)
InChIKeyRJIDHEHPPLWEQK-UHFFFAOYSA-N
XLogP1.20
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide?
The IUPAC name of 4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide (CID 70864647) is 4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide is CC(=O)COc1cc(C(N)=O)c(C)cc1F.
What is the InChIKey of 4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide?
The InChIKey is RJIDHEHPPLWEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-6-3-9(12)10(16-5-7(2)14)4-8(6)11(13)15/h3-4H,5H2,1-2H3,(H2,13,15).
What are the key properties of 4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide?
4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide has a molecular weight of 225.22 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5-(2-oxopropoxy)benzamide is sourced from PubChem (CID 70864647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).