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2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

CAS: 478063-77-3

Formula: C16H11ClF6N2O

SMILES: FC(F)(F)C1=CC=CC(CNC(=O)CC2=C(Cl)C=C(C=N2)C(F)(F)F)=C1

IUPAC: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

InChI: InChI=1S/C16H11ClF6N2O/c17-12-5-11(16(21,22)23)8-24-13(12)6-14(26)25-7-9-2-1-3-10(4-9)15(18,19)20/h1-5,8H,6-7H2,(H,25,26)

Composition: C (48.44%), H (2.79%), Cl (8.94%), F (28.73%), N (7.06%), O (4.03%)

Molar Mass: 396.72

Atom Count: 37

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 396.0464097
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BZLAYBNIFQVRCU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.92
Topological Polar Surface Area 41.99
Polarizability 30.26
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 478063-77-3 $51.35-$86.31$51.35$63.37$86.31
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