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N-[(4-methylphenyl)methyl]-2-(2,2,2-trifluoroacetamido)benzamide

N-[(4-methylphenyl)methyl]-2-(2,2,2-trifluoroacetamido)benzamide

CAS: 478261-00-6

Formula: C17H15F3N2O2

SMILES: CC1=CC=C(CNC(=O)C2=C(NC(=O)C(F)(F)F)C=CC=C2)C=C1

IUPAC: N-[(4-methylphenyl)methyl]-2-(2,2,2-trifluoroacetamido)benzamide

InChI: InChI=1S/C17H15F3N2O2/c1-11-6-8-12(9-7-11)10-21-15(23)13-4-2-3-5-14(13)22-16(24)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24)

Composition: C (60.71%), H (4.50%), F (16.95%), N (8.33%), O (9.51%)

Molar Mass: 336.314

Atom Count: 39

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 336.10856222
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey BUKUOZJEAGGIRF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.56
Topological Polar Surface Area 58.2
Polarizability 30.51
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 478261-00-6 $51.35-$86.31$51.35$63.37$86.31
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