(2E)-2-cyano-N-(2,3-dichlorophenyl)-3-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}prop-2-enamide

(2E)-2-cyano-N-(2,3-dichlorophenyl)-3-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}prop-2-enamide

Formula: C25H19Cl2FN2O3

SMILES: CCOC1=CC(C=C(/C#N)C(=O)NC2=CC=CC(Cl)=C2Cl)=CC=C1OCC1=CC=CC=C1F

IUPAC: (2E)-2-cyano-N-(2,3-dichlorophenyl)-3-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}prop-2-enamide

InChI: InChI=1S/C25H19Cl2FN2O3/c1-2-32-23-13-16(10-11-22(23)33-15-17-6-3-4-8-20(17)28)12-18(14-29)25(31)30-21-9-5-7-19(26)24(21)27/h3-13H,2,15H2,1H3,(H,30,31)/b18-12+

Composition: C (61.87%), H (3.95%), Cl (14.61%), F (3.91%), N (5.77%), O (9.89%)

Molar Mass: 485.34

Atom Count: 52

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	484.075676
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CMHFALJDBWLYAD-LDADJPATSA-N
Lipinski's Rule of Five
Molar Refractivity	128.5
Topological Polar Surface Area	71.35
Polarizability	48.03
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H19Cl2FN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00