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

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

Formula: C21H20BrClN2O3

SMILES: CC1=C(Cl)C(Br)=CC=C1NC(=O)CCN1C(=O)C2C(C3C=CC2C2CC32)C1=O

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

InChI: InChI=1/C21H20BrClN2O3/c1-9-15(5-4-14(22)19(9)23)24-16(26)6-7-25-20(27)17-10-2-3-11(13-8-12(10)13)18(17)21(25)28/h2-5,10-13,17-18H,6-8H2,1H3,(H,24,26)

Composition: C (54.39%), H (4.35%), Br (17.23%), Cl (7.64%), N (6.04%), O (10.35%)

Molar Mass: 463.76

Atom Count: 48

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	462.034583
Formal Charge	0
FSP3	0.48
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RNIYEEJXEJHSBB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.36
Topological Polar Surface Area	66.48
Polarizability	41.98
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20BrClN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00