2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide

C19H19FN2O4 — CID 145070230

IUPAC2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide
SMILESCNC(=O)CN1Cc2c(OCc3cccc(OC)c3F)cccc2C1=O
InChIInChI=1S/C19H19FN2O4/c1-21-17(23)10-22-9-14-13(19(22)24)6-4-7-15(14)26-11-12-5-3-8-16(25-2)18(12)20/h3-8H,9-11H2,1-2H3,(H,21,23)
InChIKeyHGDFZHXVKGKHCI-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.12
Rot. Bonds6

About 2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide

2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide (PubChem CID 145070230) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide
PubChem CID145070230
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide
SMILESCNC(=O)CN1Cc2c(OCc3cccc(OC)c3F)cccc2C1=O
InChIInChI=1S/C19H19FN2O4/c1-21-17(23)10-22-9-14-13(19(22)24)6-4-7-15(14)26-11-12-5-3-8-16(25-2)18(12)20/h3-8H,9-11H2,1-2H3,(H,21,23)
InChIKeyHGDFZHXVKGKHCI-UHFFFAOYSA-N
XLogP2.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
CID 104792196
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197
5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 156892023
3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 104791725
2-[7-[(2-fluoro-3-methoxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 130389143
2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 59479327
(4S)-5-amino-4-[7-[(2-fluoro-5-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-4-hydroxy-5-oxopentanoic acid
CID 145070423
4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one
CID 156892033
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 104791282
2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 104793354
4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one
CID 156892057

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide (CID 145070230) is 2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide is CNC(=O)CN1Cc2c(OCc3cccc(OC)c3F)cccc2C1=O.
What is the InChIKey of 2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide?
The InChIKey is HGDFZHXVKGKHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-21-17(23)10-22-9-14-13(19(22)24)6-4-7-15(14)26-11-12-5-3-8-16(25-2)18(12)20/h3-8H,9-11H2,1-2H3,(H,21,23).
What are the key properties of 2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide?
2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide has a molecular weight of 358.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide is sourced from PubChem (CID 145070230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).