2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide

C18H20FNO4 — CID 70706605

IUPAC2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(Cc2cc(OC)c(OC)cc2F)cc1
InChIInChI=1S/C18H20FNO4/c1-20-18(21)11-24-14-6-4-12(5-7-14)8-13-9-16(22-2)17(23-3)10-15(13)19/h4-7,9-10H,8,11H2,1-3H3,(H,20,21)
InChIKeyYSQVYJQLBRPQRQ-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.56
Rot. Bonds7

About 2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide

2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide (PubChem CID 70706605) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide
PubChem CID70706605
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC Name2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(Cc2cc(OC)c(OC)cc2F)cc1
InChIInChI=1S/C18H20FNO4/c1-20-18(21)11-24-14-6-4-12(5-7-14)8-13-9-16(22-2)17(23-3)10-15(13)19/h4-7,9-10H,8,11H2,1-3H3,(H,20,21)
InChIKeyYSQVYJQLBRPQRQ-UHFFFAOYSA-N
XLogP2.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide
CID 72885050
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide
CID 86778558
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide
CID 63000645
methyl 2-[4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695230
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43276291
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 1043063
2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9012523
2-[4-[2-(3-benzyl-4-methoxyanilino)-2-oxoethoxy]phenyl]acetamide
CID 48673523
2-[(6-fluoro-3-pyridinyl)oxy]-N-methylacetamide
CID 115371615

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide (CID 70706605) is 2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(Cc2cc(OC)c(OC)cc2F)cc1.
What is the InChIKey of 2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide?
The InChIKey is YSQVYJQLBRPQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-20-18(21)11-24-14-6-4-12(5-7-14)8-13-9-16(22-2)17(23-3)10-15(13)19/h4-7,9-10H,8,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide?
2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide has a molecular weight of 333.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 70706605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).