N-(2H-1,3-benzodioxol-5-yl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

N-(2H-1,3-benzodioxol-5-yl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

CAS: 866131-92-2

Formula: C18H16ClF3N4O3

SMILES: FC(F)(F)C1=CC(Cl)=C(N=C1)N1CCN(CC1)C(=O)NC1=CC2=C(OCO2)C=C1

IUPAC: N-(2H-1,3-benzodioxol-5-yl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

InChI: InChI=1S/C18H16ClF3N4O3/c19-13-7-11(18(20,21)22)9-23-16(13)25-3-5-26(6-4-25)17(27)24-12-1-2-14-15(8-12)29-10-28-14/h1-2,7-9H,3-6,10H2,(H,24,27)

Composition: C (50.42%), H (3.76%), Cl (8.27%), F (13.29%), N (13.07%), O (11.19%)

Molar Mass: 428.8

Atom Count: 45

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	428.0863026
Formal Charge	0
FSP3	0.33
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	YNOQMJNEVAIWTB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.64
Topological Polar Surface Area	66.93
Polarizability	36.68
Ring Count	4
Rotatable Bond Count	3

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