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4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-(²H?)methylpyridine-2-carboxamide

4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-(²H?)methylpyridine-2-carboxamide

CAS: 1130115-44-4

Formula: C21H16ClF3N4O3

SMILES: [2H]C([2H])([2H])NC(=O)C1=CC(OC2=CC=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1

IUPAC: 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-(²H?)methylpyridine-2-carboxamide

InChI: InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)/i1D3

Composition: C (53.91%), H (2.80%), [2H] (1.29%), Cl (7.58%), F (12.18%), N (11.98%), O (10.26%)

Molar Mass: 467.85

Atom Count: 48

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 467.1051328
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey MLDQJTXFUGDVEO-FIBGUPNXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 114.52
Topological Polar Surface Area 92.35
Polarizability 41.29
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
99% <5 Days 1130115-44-4 $305.16-$3,293.73$305.16$465.31$738.95$1,417.36$2,138.66$3,293.73
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