3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide

C11H14FNO3 — CID 79672875

IUPAC3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide
SMILESCOCCONC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-8-3-4-9(7-10(8)12)11(14)13-16-6-5-15-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyBUMKRPJWQPIQKX-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.44
Rot. Bonds5

About 3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide

3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide (PubChem CID 79672875) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide
PubChem CID79672875
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide
SMILESCOCCONC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-8-3-4-9(7-10(8)12)11(14)13-16-6-5-15-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyBUMKRPJWQPIQKX-UHFFFAOYSA-N
XLogP1.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79676704
3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496
3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643
3,4-difluoro-N-(2-hydroxyethoxy)benzamide
CID 142266276
3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide
CID 103712284
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
4-bromo-N-(2-methoxyethoxy)benzamide
CID 79676789
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 64996528
3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 79672966
2-amino-1-(3-fluoro-4-methylphenyl)ethanone;methyl 3-fluoro-4-methylbenzoate
CID 160772754
3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
CID 33327149

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide (CID 79672875) is 3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide is COCCONC(=O)c1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide?
The InChIKey is BUMKRPJWQPIQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-8-3-4-9(7-10(8)12)11(14)13-16-6-5-15-2/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide?
3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide has a molecular weight of 227.23 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide is sourced from PubChem (CID 79672875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).