(2E)-2-cyano-N-(2,4-dichlorophenyl)-3-[3-methyl-4-(pyrrolidin-1-yl)phenyl]prop-2-enamide

(2E)-2-cyano-N-(2,4-dichlorophenyl)-3-[3-methyl-4-(pyrrolidin-1-yl)phenyl]prop-2-enamide

Formula: C21H19Cl2N3O

SMILES: CC1=CC(C=C(/C#N)C(=O)NC2=CC=C(Cl)C=C2Cl)=CC=C1N1CCCC1

IUPAC: (2E)-2-cyano-N-(2,4-dichlorophenyl)-3-[3-methyl-4-(pyrrolidin-1-yl)phenyl]prop-2-enamide

InChI: InChI=1S/C21H19Cl2N3O/c1-14-10-15(4-7-20(14)26-8-2-3-9-26)11-16(13-24)21(27)25-19-6-5-17(22)12-18(19)23/h4-7,10-12H,2-3,8-9H2,1H3,(H,25,27)/b16-11+

Composition: C (63.01%), H (4.78%), Cl (17.71%), N (10.50%), O (4.00%)

Molar Mass: 400.3

Atom Count: 46

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	399.0905176
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WQHRRZRNEBMFQK-LFIBNONCSA-N
Lipinski's Rule of Five
Molar Refractivity	113.01
Topological Polar Surface Area	56.13
Polarizability	41.37
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H19Cl2N3O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00