2,5-bis(2,2,2-trifluoroethoxy)-N-[2-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)ethyl]benzamide

2,5-bis(2,2,2-trifluoroethoxy)-N-[2-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)ethyl]benzamide

CAS: 338404-68-5

Formula: C21H18F9N3O5

SMILES: FC(F)(F)COC1=CC(C(=O)NCCNC(=O)NC2=CC=C(OC(F)(F)F)C=C2)=C(OCC(F)(F)F)C=C1

IUPAC: 2,5-bis(2,2,2-trifluoroethoxy)-N-[2-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)ethyl]benzamide

InChI: InChI=1S/C21H18F9N3O5/c22-19(23,24)10-36-14-5-6-16(37-11-20(25,26)27)15(9-14)17(34)31-7-8-32-18(35)33-12-1-3-13(4-2-12)38-21(28,29)30/h1-6,9H,7-8,10-11H2,(H,31,34)(H2,32,33,35)

Composition: C (44.77%), H (3.22%), F (30.35%), N (7.46%), O (14.20%)

Molar Mass: 563.377

Atom Count: 56

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	563.110274159
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	UPENEFXSLFBXIK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	109.46
Topological Polar Surface Area	97.92
Polarizability	40.72
Ring Count	2
Rotatable Bond Count	13

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90%	<2 Days	338404-68-5		$51.35-$86.31$51.35$63.37$86.31