2-(2,2-diethoxyethoxy)-6-fluorobenzamide

C13H18FNO4 — CID 63630436

IUPAC2-(2,2-diethoxyethoxy)-6-fluorobenzamide
SMILESCCOC(COc1cccc(F)c1C(N)=O)OCC
InChIInChI=1S/C13H18FNO4/c1-3-17-11(18-4-2)8-19-10-7-5-6-9(14)12(10)13(15)16/h5-7,11H,3-4,8H2,1-2H3,(H2,15,16)
InChIKeyTYQZUMCHUHFTFC-UHFFFAOYSA-N
MW271.29 g/mol
LogP1.70
Rot. Bonds8

About 2-(2,2-diethoxyethoxy)-6-fluorobenzamide

2-(2,2-diethoxyethoxy)-6-fluorobenzamide (PubChem CID 63630436) has the molecular formula C13H18FNO4 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(2,2-diethoxyethoxy)-6-fluorobenzamide.

Molecular Properties

Compound Name2-(2,2-diethoxyethoxy)-6-fluorobenzamide
PubChem CID63630436
Molecular FormulaC13H18FNO4
Molecular Weight271.29 g/mol
Exact Mass271.12
IUPAC Name2-(2,2-diethoxyethoxy)-6-fluorobenzamide
SMILESCCOC(COc1cccc(F)c1C(N)=O)OCC
InChIInChI=1S/C13H18FNO4/c1-3-17-11(18-4-2)8-19-10-7-5-6-9(14)12(10)13(15)16/h5-7,11H,3-4,8H2,1-2H3,(H2,15,16)
InChIKeyTYQZUMCHUHFTFC-UHFFFAOYSA-N
XLogP1.70
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate
CID 43609465
methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate
CID 65441606
2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
CID 79395775
3-(2-carbamothioyl-3-fluorophenoxy)-2-methylpropanamide
CID 43609488
(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
CID 103547951
1-(2,6-difluorophenyl)-2-ethoxybutan-1-one
CID 116707435
2-fluoro-6-(3-oxobutan-2-yloxy)benzamide
CID 62032914
2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide
CID 83047514
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
CID 86790985
2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide
CID 62033820
ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
CID 55144001
2-fluoro-6-(2-methylpentoxy)benzenecarbothioamide
CID 62266227

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethoxy)-6-fluorobenzamide?
The IUPAC name of 2-(2,2-diethoxyethoxy)-6-fluorobenzamide (CID 63630436) is 2-(2,2-diethoxyethoxy)-6-fluorobenzamide.
What is the SMILES notation for 2-(2,2-diethoxyethoxy)-6-fluorobenzamide?
The canonical SMILES for 2-(2,2-diethoxyethoxy)-6-fluorobenzamide is CCOC(COc1cccc(F)c1C(N)=O)OCC.
What is the InChIKey of 2-(2,2-diethoxyethoxy)-6-fluorobenzamide?
The InChIKey is TYQZUMCHUHFTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4/c1-3-17-11(18-4-2)8-19-10-7-5-6-9(14)12(10)13(15)16/h5-7,11H,3-4,8H2,1-2H3,(H2,15,16).
What are the key properties of 2-(2,2-diethoxyethoxy)-6-fluorobenzamide?
2-(2,2-diethoxyethoxy)-6-fluorobenzamide has a molecular weight of 271.29 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethoxy)-6-fluorobenzamide is sourced from PubChem (CID 63630436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).