N-(5-chloro-2-methoxyphenyl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetamide

N-(5-chloro-2-methoxyphenyl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetamide

Formula: C20H21ClF3N3O2

SMILES: COC1=CC=C(Cl)C=C1NC(=O)CN1CCN(CC1)C1=CC=CC(=C1)C(F)(F)F

IUPAC: N-(5-chloro-2-methoxyphenyl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetamide

InChI: InChI=1S/C20H21ClF3N3O2/c1-29-18-6-5-15(21)12-17(18)25-19(28)13-26-7-9-27(10-8-26)16-4-2-3-14(11-16)20(22,23)24/h2-6,11-12H,7-10,13H2,1H3,(H,25,28)

Composition: C (56.15%), H (4.95%), Cl (8.29%), F (13.32%), N (9.82%), O (7.48%)

Molar Mass: 427.85

Atom Count: 50

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	427.1274391
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FUWVTGCUTPHLIP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.14
Topological Polar Surface Area	44.81
Polarizability	39.6
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21ClF3N3O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00