4-amino-5-chloro-N-{1-[(4-fluorophenyl)methyl]piperidin-4-yl}-2-methoxybenzamide

4-amino-5-chloro-N-{1-[(4-fluorophenyl)methyl]piperidin-4-yl}-2-methoxybenzamide

CAS: 154540-49-5

Formula: C20H23ClFN3O2

SMILES: COC1=CC(N)=C(Cl)C=C1C(=O)NC1CCN(CC2=CC=C(F)C=C2)CC1

IUPAC: 4-amino-5-chloro-N-{1-[(4-fluorophenyl)methyl]piperidin-4-yl}-2-methoxybenzamide

InChI: InChI=1S/C20H23ClFN3O2/c1-27-19-11-18(23)17(21)10-16(19)20(26)24-15-6-8-25(9-7-15)12-13-2-4-14(22)5-3-13/h2-5,10-11,15H,6-9,12,23H2,1H3,(H,24,26)

Composition: C (61.30%), H (5.92%), Cl (9.05%), F (4.85%), N (10.72%), O (8.17%)

Molar Mass: 391.87

Atom Count: 50

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	391.1462829
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	HKDIGEWWDHALIS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.28
Topological Polar Surface Area	67.59
Polarizability	39.82
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	154540-49-5		$38.22-$670.38$38.22$51.98$74.15$123.83$223.20$371.50$670.38