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2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N,N'-bis[(4-methylphenyl)methyl]propanediamide

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N,N'-bis[(4-methylphenyl)methyl]propanediamide

CAS: 478063-76-2

Formula: C25H23ClF3N3O2

SMILES: CC1=CC=C(CNC(=O)C(C(=O)NCC2=CC=C(C)C=C2)C2=C(Cl)C=C(C=N2)C(F)(F)F)C=C1

IUPAC: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N,N'-bis[(4-methylphenyl)methyl]propanediamide

InChI: InChI=1S/C25H23ClF3N3O2/c1-15-3-7-17(8-4-15)12-31-23(33)21(22-20(26)11-19(14-30-22)25(27,28)29)24(34)32-13-18-9-5-16(2)6-10-18/h3-11,14,21H,12-13H2,1-2H3,(H,31,33)(H,32,34)

Composition: C (61.29%), H (4.73%), Cl (7.24%), F (11.63%), N (8.58%), O (6.53%)

Molar Mass: 489.92

Atom Count: 57

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 489.1430892
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QNUXQKLBYUXTOT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 124.65
Topological Polar Surface Area 71.09
Polarizability 46.7
Ring Count 3
Rotatable Bond Count 8

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