N-(4-bromo-3-chloro-2-methylphenyl)-2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}acetamide

N-(4-bromo-3-chloro-2-methylphenyl)-2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}acetamide

Formula: C18H16BrClN2O3

SMILES: CC1=C(Cl)C(Br)=CC=C1NC(=O)CN1C(=O)C2C3CC(C=C3)C2C1=O

IUPAC: N-(4-bromo-3-chloro-2-methylphenyl)-2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}acetamide

InChI: InChI=1/C18H16BrClN2O3/c1-8-12(5-4-11(19)16(8)20)21-13(23)7-22-17(24)14-9-2-3-10(6-9)15(14)18(22)25/h2-5,9-10,14-15H,6-7H2,1H3,(H,21,23)

Composition: C (51.03%), H (3.81%), Br (18.86%), Cl (8.37%), N (6.61%), O (11.33%)

Molar Mass: 423.69

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	4
Exact Mass	422.003283
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GEXBVYYRKXVIIT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.37
Topological Polar Surface Area	66.48
Polarizability	37.23
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16BrClN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00