N-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-yn-1-yl}phenyl)acetamide

N-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-yn-1-yl}phenyl)acetamide

CAS: 900015-38-5

Formula: C21H22FN3O

SMILES: CC(=O)NC1=CC=CC(=C1)C#CCN1CCN(CC1)C1=CC=C(F)C=C1

IUPAC: N-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-yn-1-yl}phenyl)acetamide

InChI: InChI=1S/C21H22FN3O/c1-17(26)23-20-6-2-4-18(16-20)5-3-11-24-12-14-25(15-13-24)21-9-7-19(22)8-10-21/h2,4,6-10,16H,11-15H2,1H3,(H,23,26)

Composition: C (71.77%), H (6.31%), F (5.41%), N (11.96%), O (4.55%)

Molar Mass: 351.425

Atom Count: 48

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	351.174690503
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SPPWMHTUAIIOOE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.86
Topological Polar Surface Area	35.58
Polarizability	38.17
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	900015-38-5		$51.35-$524.40$51.35$63.37$86.31$524.40