2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide

C17H15FN2O3 — CID 10018501

IUPAC2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide
SMILESNC(=O)CN1Cc2cc(OCc3ccc(F)cc3)ccc2C1=O
InChIInChI=1S/C17H15FN2O3/c18-13-3-1-11(2-4-13)10-23-14-5-6-15-12(7-14)8-20(17(15)22)9-16(19)21/h1-7H,8-10H2,(H2,19,21)
InChIKeyMXYSDGRHJQHSAV-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.85
Rot. Bonds5

About 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide

2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide (PubChem CID 10018501) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide
PubChem CID10018501
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide
SMILESNC(=O)CN1Cc2cc(OCc3ccc(F)cc3)ccc2C1=O
InChIInChI=1S/C17H15FN2O3/c18-13-3-1-11(2-4-13)10-23-14-5-6-15-12(7-14)8-20(17(15)22)9-16(19)21/h1-7H,8-10H2,(H2,19,21)
InChIKeyMXYSDGRHJQHSAV-UHFFFAOYSA-N
XLogP1.85
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[6-[(4-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate
CID 69035867
2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide
CID 22397104
(2R)-2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide
CID 135693432
2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide
CID 22641922
1-[2-[[2-[(4-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]-1-hydroxyurea
CID 18963938
methyl 2-[5-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetate
CID 10019439
ethyl 2-[6-[(3-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate
CID 69037826
5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 70328628
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
tert-butyl 2-[7-[[4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]methoxy]-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl]acetate
CID 10577968
3-[6-[(2,3-difluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanamide
CID 22641905

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide?
The IUPAC name of 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide (CID 10018501) is 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide.
What is the SMILES notation for 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide?
The canonical SMILES for 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide is NC(=O)CN1Cc2cc(OCc3ccc(F)cc3)ccc2C1=O.
What is the InChIKey of 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide?
The InChIKey is MXYSDGRHJQHSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-13-3-1-11(2-4-13)10-23-14-5-6-15-12(7-14)8-20(17(15)22)9-16(19)21/h1-7H,8-10H2,(H2,19,21).
What are the key properties of 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide?
2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide has a molecular weight of 314.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide is sourced from PubChem (CID 10018501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).