2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide

C14H13FN2O3 — CID 62033820

IUPAC2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide
SMILESCn1cccc1C(=O)COc1cccc(F)c1C(N)=O
InChIInChI=1S/C14H13FN2O3/c1-17-7-3-5-10(17)11(18)8-20-12-6-2-4-9(15)13(12)14(16)19/h2-7H,8H2,1H3,(H2,16,19)
InChIKeyLFHVYXAUYNMOGG-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.52
Rot. Bonds5

About 2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide

2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide (PubChem CID 62033820) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide
PubChem CID62033820
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide
SMILESCn1cccc1C(=O)COc1cccc(F)c1C(N)=O
InChIInChI=1S/C14H13FN2O3/c1-17-7-3-5-10(17)11(18)8-20-12-6-2-4-9(15)13(12)14(16)19/h2-7H,8H2,1H3,(H2,16,19)
InChIKeyLFHVYXAUYNMOGG-UHFFFAOYSA-N
XLogP1.52
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-fluorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 115918544
2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
CID 79395775
2-fluoro-6-(2-oxo-2-thiophen-2-ylethoxy)benzamide
CID 62034000
2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate
CID 84602073
2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 55060707
2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide
CID 31393111
2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43411982
methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate
CID 43609465
2-(2,2-diethoxyethoxy)-6-fluorobenzamide
CID 63630436
2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43412107
2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 60624990
2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 82006913

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide?
The IUPAC name of 2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide (CID 62033820) is 2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for 2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide is Cn1cccc1C(=O)COc1cccc(F)c1C(N)=O.
What is the InChIKey of 2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide?
The InChIKey is LFHVYXAUYNMOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-17-7-3-5-10(17)11(18)8-20-12-6-2-4-9(15)13(12)14(16)19/h2-7H,8H2,1H3,(H2,16,19).
What are the key properties of 2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide?
2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide has a molecular weight of 276.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 62033820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).