N-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}-2,6-difluorobenzamide

N-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}-2,6-difluorobenzamide

Formula: C18H14ClF5N4O2

SMILES: FC1=CC=CC(F)=C1C(=O)NC(=O)N1CCN(CC1)C1=NC=C(C=C1Cl)C(F)(F)F

IUPAC: N-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}-2,6-difluorobenzamide

InChI: InChI=1S/C18H14ClF5N4O2/c19-11-8-10(18(22,23)24)9-25-15(11)27-4-6-28(7-5-27)17(30)26-16(29)14-12(20)2-1-3-13(14)21/h1-3,8-9H,4-7H2,(H,26,29,30)

Composition: C (48.17%), H (3.14%), Cl (7.90%), F (21.17%), N (12.48%), O (7.13%)

Molar Mass: 448.78

Atom Count: 44

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	448.0725442
Formal Charge	0
FSP3	0.28
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DOZGYLZUQNLBAY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.09
Topological Polar Surface Area	65.54
Polarizability	35.56
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H14ClF5N4O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00