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4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide

4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide

Formula: C27H24ClFN2O5

SMILES: COC1=CC=C(CCN(C2CC(=O)N(C2=O)C2=CC=C(F)C=C2)C(=O)C2=CC=C(Cl)C=C2)C=C1OC

IUPAC: 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide

InChI: InChI=1/C27H24ClFN2O5/c1-35-23-12-3-17(15-24(23)36-2)13-14-30(26(33)18-4-6-19(28)7-5-18)22-16-25(32)31(27(22)34)21-10-8-20(29)9-11-21/h3-12,15,22H,13-14,16H2,1-2H3

Composition: C (63.47%), H (4.73%), Cl (6.94%), F (3.72%), N (5.48%), O (15.66%)

Molar Mass: 510.95

Atom Count: 60

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 510.1357777
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey VSEGLBKYNPUHHQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 132.28
Topological Polar Surface Area 76.15
Polarizability 50.57
Ring Count 4
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H24ClFN2O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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