N-[3-(benzylamino)-1,4-dioxonaphthalen-2-yl]-N-[(4-fluorophenyl)methyl]acetamide

N-[3-(benzylamino)-1,4-dioxonaphthalen-2-yl]-N-[(4-fluorophenyl)methyl]acetamide

CAS: 355406-76-7

Formula: C26H21FN2O3

SMILES: CC(=O)N(CC1=CC=C(F)C=C1)C1=C(NCC2=CC=CC=C2)C(=O)C2=C(C=CC=C2)C1=O

IUPAC: N-[3-(benzylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-N-[(4-fluorophenyl)methyl]acetamide

InChI: InChI=1S/C26H21FN2O3/c1-17(30)29(16-19-11-13-20(27)14-12-19)24-23(28-15-18-7-3-2-4-8-18)25(31)21-9-5-6-10-22(21)26(24)32/h2-14,28H,15-16H2,1H3

Composition: C (72.89%), H (4.94%), F (4.43%), N (6.54%), O (11.20%)

Molar Mass: 428.463

Atom Count: 53

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	428.153620707
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	COATXBHZYVUJQP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	121.99
Topological Polar Surface Area	66.48
Polarizability	45.37
Ring Count	4
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.89%	<7 Days	355406-76-7		$61.71-$678.81$61.71$102.85$226.27$401.12$678.81