N-[4-(cyanomethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-[4-(cyanomethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

CAS: 303091-79-4

Formula: C20H21FN4O

SMILES: FC1=CC=C(C=C1)N1CCN(CC(=O)NC2=CC=C(CC#N)C=C2)CC1

IUPAC: N-[4-(cyanomethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

InChI: InChI=1S/C20H21FN4O/c21-17-3-7-19(8-4-17)25-13-11-24(12-14-25)15-20(26)23-18-5-1-16(2-6-18)9-10-22/h1-8H,9,11-15H2,(H,23,26)

Composition: C (68.16%), H (6.01%), F (5.39%), N (15.90%), O (4.54%)

Molar Mass: 352.413

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	352.169939475
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PIUZPHQJLQDMJJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.4
Topological Polar Surface Area	59.37
Polarizability	37.28
Ring Count	3
Rotatable Bond Count	5

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90%	<2 Days	303091-79-4		$51.35-$86.31$51.35$63.37$86.31