(3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C21H20FN3O4 — CID 121314557

IUPAC(3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCNc1ccc(F)c(COc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)c1
InChIInChI=1S/C21H20FN3O4/c1-23-13-5-6-16(22)12(9-13)11-29-18-4-2-3-14-15(18)10-25(21(14)28)17-7-8-19(26)24-20(17)27/h2-6,9,17,23H,7-8,10-11H2,1H3,(H,24,26,27)/t17-/m1/s1
InChIKeyJYGRNWSGAKQPOW-QGZVFWFLSA-N
MW397.41 g/mol
LogP2.21
Rot. Bonds5

About (3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

(3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 121314557) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is (3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID121314557
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name(3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCNc1ccc(F)c(COc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)c1
InChIInChI=1S/C21H20FN3O4/c1-23-13-5-6-16(22)12(9-13)11-29-18-4-2-3-14-15(18)10-25(21(14)28)17-7-8-19(26)24-20(17)27/h2-6,9,17,23H,7-8,10-11H2,1H3,(H,24,26,27)/t17-/m1/s1
InChIKeyJYGRNWSGAKQPOW-QGZVFWFLSA-N
XLogP2.21
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-deuterio-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 160712094
(3R)-3-deuterio-3-[7-[(2-fluoro-5-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-5-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-5-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-5-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-5-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-5-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 159077749
3-[7-[(3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53354514
3-[7-[[4-(bromomethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389196
3-[7-[[4-[5-(methylamino)hexyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 144735309
3-[7-[(4-methylsulfonylphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53354517
3-[7-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 67334359
(3S)-3-[7-[(4-methylphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]azepane-2,7-dione
CID 155007600
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]benzoic acid
CID 171158489
3-[7-[dideuterio-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140817515
3-[3-oxo-7-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155673284
(3S)-3-[7-[(2-fluoro-5-methoxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 121314609

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 121314557) is (3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CNc1ccc(F)c(COc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)c1.
What is the InChIKey of (3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is JYGRNWSGAKQPOW-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-23-13-5-6-16(22)12(9-13)11-29-18-4-2-3-14-15(18)10-25(21(14)28)17-7-8-19(26)24-20(17)27/h2-6,9,17,23H,7-8,10-11H2,1H3,(H,24,26,27)/t17-/m1/s1.
What are the key properties of (3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
(3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 397.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 121314557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).