methyl 4-(4-acetylpiperazin-1-yl)-3-(4-fluorobenzamido)benzoate

methyl 4-(4-acetylpiperazin-1-yl)-3-(4-fluorobenzamido)benzoate

Formula: C21H22FN3O4

SMILES: COC(=O)C1=CC=C(N2CCN(CC2)C(C)=O)C(NC(=O)C2=CC=C(F)C=C2)=C1

IUPAC: methyl 4-(4-acetylpiperazin-1-yl)-3-(4-fluorobenzamido)benzoate

InChI: InChI=1S/C21H22FN3O4/c1-14(26)24-9-11-25(12-10-24)19-8-5-16(21(28)29-2)13-18(19)23-20(27)15-3-6-17(22)7-4-15/h3-8,13H,9-12H2,1-2H3,(H,23,27)

Composition: C (63.15%), H (5.55%), F (4.76%), N (10.52%), O (16.02%)

Molar Mass: 399.422

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	399.159434363
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CFALFVNGDHYVEQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.58
Topological Polar Surface Area	78.95
Polarizability	39.75
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22FN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00