(2E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-(2,5-dimethoxyphenyl)prop-2-enamide

(2E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-(2,5-dimethoxyphenyl)prop-2-enamide

Formula: C19H14ClF3N2O3

SMILES: COC1=CC=C(OC)C(C=C(/C#N)C(=O)NC2=CC(=CC=C2Cl)C(F)(F)F)=C1

IUPAC: (2E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-(2,5-dimethoxyphenyl)prop-2-enamide

InChI: InChI=1S/C19H14ClF3N2O3/c1-27-14-4-6-17(28-2)11(8-14)7-12(10-24)18(26)25-16-9-13(19(21,22)23)3-5-15(16)20/h3-9H,1-2H3,(H,25,26)/b12-7+

Composition: C (55.56%), H (3.44%), Cl (8.63%), F (13.87%), N (6.82%), O (11.68%)

Molar Mass: 410.78

Atom Count: 42

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	410.0645045
Formal Charge	0
FSP3	0.16
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YGRFSQQPHIIVHV-KPKJPENVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.1
Topological Polar Surface Area	71.35
Polarizability	36.2
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H14ClF3N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00