Flumiclorac-pentyl
pentyl 2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorophenoxy]acetate
Molecular Identity
Flumiclorac-pentyl
pentyl 2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorophenoxy]acetate
PubChem CID: 443048
Flumiclorac pentyl is a pyrroline.
2D Structure
Properties
C21H23ClFNO5
Molecular Formula
423.90
Molecular Weight
g/mol
423.1249
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
72.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
654
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCOC(=O)COC1=C(C=C(C(=C1)N2C(=O)C3=C(C2=O)CCCC3)F)ClIsomeric SMILES
SMILES: CCCCCOC(=O)COC1=C(C=C(C(=C1)N2C(=O)C3=C(C2=O)CCCC3)F)ClSynonyms(20)
Flumiclorac-pentyl87546-18-7SumiverdeResourceFlumiclorac pentylDTXSID203255467CZ8IH915Acetic acid, (2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy)-, pentyl esterDTXCID0012554S-23031V-23031ACETIC ACID, 2-(2-CHLORO-4-FLUORO-5-(1,3,4,5,6,7-HEXAHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)PHENOXY)-, PENTYL ESTERpentyl 2-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)-4-fluorophenoxy]acetatepentyl 2-(2-chloro-5-(1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)-4-fluorophenoxy)acetateRefChem:1085415
Data from PubChem (NCBI)
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