(2E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[4-(pyrrolidin-1-yl)phenyl]prop-2-enamide

(2E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[4-(pyrrolidin-1-yl)phenyl]prop-2-enamide

Formula: C21H20ClN3O

SMILES: CC1=CC=C(Cl)C=C1NC(=O)C(=CC1=CC=C(C=C1)N1CCCC1)C#N

IUPAC: (2E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[4-(pyrrolidin-1-yl)phenyl]prop-2-enamide

InChI: InChI=1S/C21H20ClN3O/c1-15-4-7-18(22)13-20(15)24-21(26)17(14-23)12-16-5-8-19(9-6-16)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,26)/b17-12+

Composition: C (68.94%), H (5.51%), Cl (9.69%), N (11.49%), O (4.37%)

Molar Mass: 365.86

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	365.12949
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OQJSWDZXQHRFDO-SFQUDFHCSA-N
Lipinski's Rule of Five
Molar Refractivity	108.21
Topological Polar Surface Area	56.13
Polarizability	39.48
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20ClN3O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00