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N-({1'-benzyl-4',5'-dimethyl-[1,2'-bipyrrol]-3'-yl}methyl)-2,6-difluorobenzamide

N-({1'-benzyl-4',5'-dimethyl-[1,2'-bipyrrol]-3'-yl}methyl)-2,6-difluorobenzamide

CAS: 478077-09-7

Formula: C25H23F2N3O

SMILES: CC1=C(C)C(CNC(=O)C2=C(F)C=CC=C2F)=C(N2C=CC=C2)N1CC1=CC=CC=C1

IUPAC: N-({1'-benzyl-4',5'-dimethyl-1'H-[1,2'-bipyrrol]-3'-yl}methyl)-2,6-difluorobenzamide

InChI: InChI=1S/C25H23F2N3O/c1-17-18(2)30(16-19-9-4-3-5-10-19)25(29-13-6-7-14-29)20(17)15-28-24(31)23-21(26)11-8-12-22(23)27/h3-14H,15-16H2,1-2H3,(H,28,31)

Composition: C (71.58%), H (5.53%), F (9.06%), N (10.02%), O (3.81%)

Molar Mass: 419.476

Atom Count: 54

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 419.180918699
Formal Charge 0
FSP3 0.16
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey HYXYGDUZUHBOEN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 128.54
Topological Polar Surface Area 38.96
Polarizability 43.78
Ring Count 4
Rotatable Bond Count 6

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