Text Search
Structure Search

2-(4-chlorophenyl)-N-{[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl}-2,2-difluoroacetamide

2-(4-chlorophenyl)-N-{[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl}-2,2-difluoroacetamide

CAS: 1860875-51-9

Formula: C22H18ClF2N3O4

SMILES: FC(F)(C(=O)NCC1=CC2=C(C=C1)C(=O)N(C2)C1CCC(=O)NC1=O)C1=CC=C(Cl)C=C1

IUPAC: 2-(4-chlorophenyl)-N-{[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl]methyl}-2,2-difluoroacetamide

InChI: InChI=1/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)

Composition: C (57.21%), H (3.93%), Cl (7.68%), F (8.23%), N (9.10%), O (13.86%)

Molar Mass: 461.85

Atom Count: 50

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 461.0953901
Formal Charge 0
FSP3 0.27
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey PWBHUSLMHZLGRN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 111.16
Topological Polar Surface Area 95.58
Polarizability 41.86
Ring Count 4
Rotatable Bond Count 5

Suppliers

No suppliers are currently stocking this item.