N-(4-bromo-5-chloro-2-methylphenyl)-2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}acetamide

N-(4-bromo-5-chloro-2-methylphenyl)-2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}acetamide

Formula: C20H18BrClN2O3

SMILES: CC1=CC(Br)=C(Cl)C=C1NC(=O)CN1C(=O)C2C(C3C=CC2C2CC32)C1=O

IUPAC: N-(4-bromo-5-chloro-2-methylphenyl)-2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}acetamide

InChI: InChI=1/C20H18BrClN2O3/c1-8-4-13(21)14(22)6-15(8)23-16(25)7-24-19(26)17-9-2-3-10(12-5-11(9)12)18(17)20(24)27/h2-4,6,9-12,17-18H,5,7H2,1H3,(H,23,25)

Composition: C (53.41%), H (4.03%), Br (17.77%), Cl (7.88%), N (6.23%), O (10.67%)

Molar Mass: 449.73

Atom Count: 45

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	448.018933
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GBTWCVJQXKPJCD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.66
Topological Polar Surface Area	66.48
Polarizability	40.16
Ring Count	5
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18BrClN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00