(2E)-3-(3-nitrophenyl)-N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide

(2E)-3-(3-nitrophenyl)-N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide

Formula: C21H20F3N3O3

SMILES: [O-][N+](=O)C1=CC(C=CC(=O)NC2=CC(=CC=C2N2CCCCC2)C(F)(F)F)=CC=C1

IUPAC: (2E)-3-(3-nitrophenyl)-N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide

InChI: InChI=1S/C21H20F3N3O3/c22-21(23,24)16-8-9-19(26-11-2-1-3-12-26)18(14-16)25-20(28)10-7-15-5-4-6-17(13-15)27(29)30/h4-10,13-14H,1-3,11-12H2,(H,25,28)/b10-7+

Composition: C (60.14%), H (4.81%), F (13.59%), N (10.02%), O (11.44%)

Molar Mass: 419.404

Atom Count: 50

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	419.145676005
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NRYRKNGQIHXTDO-JXMROGBWSA-N
Lipinski's Rule of Five
Molar Refractivity	110.2
Topological Polar Surface Area	75.48
Polarizability	38.97
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20F3N3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00