3-[2-(2,4-dimethylphenoxy)acetohydrazido]-N-[3-(trifluoromethyl)phenyl]but-2-enamide

3-[2-(2,4-dimethylphenoxy)acetohydrazido]-N-[3-(trifluoromethyl)phenyl]but-2-enamide

Formula: C21H22F3N3O3

SMILES: CC(NNC(=O)COC1=CC=C(C)C=C1C)=CC(=O)NC1=CC=CC(=C1)C(F)(F)F

IUPAC: 3-[2-(2,4-dimethylphenoxy)acetohydrazido]-N-[3-(trifluoromethyl)phenyl]but-2-enamide

InChI: InChI=1S/C21H22F3N3O3/c1-13-7-8-18(14(2)9-13)30-12-20(29)27-26-15(3)10-19(28)25-17-6-4-5-16(11-17)21(22,23)24/h4-11,26H,12H2,1-3H3,(H,25,28)(H,27,29)

Composition: C (59.85%), H (5.26%), F (13.52%), N (9.97%), O (11.39%)

Molar Mass: 421.42

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	421.161326069
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	IWGBFMMAPXDZFE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.4
Topological Polar Surface Area	79.46
Polarizability	39.56
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22F3N3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00