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

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

Formula: C25H20BrClN2O3

SMILES: CC1=CC(Br)=C(Cl)C=C1NC(=O)C1=CC(=CC=C1)N1C(=O)C2C(C3C=CC2C2CC32)C1=O

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

InChI: InChI=1/C25H20BrClN2O3/c1-11-7-18(26)19(27)10-20(11)28-23(30)12-3-2-4-13(8-12)29-24(31)21-14-5-6-15(17-9-16(14)17)22(21)25(29)32/h2-8,10,14-17,21-22H,9H2,1H3,(H,28,30)

Composition: C (58.67%), H (3.94%), Br (15.61%), Cl (6.93%), N (5.47%), O (9.38%)

Molar Mass: 511.8

Atom Count: 52

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	6
Exact Mass	510.034583
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BDJLHAONUWNNSM-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	127.61
Topological Polar Surface Area	66.48
Polarizability	47.76
Ring Count	6
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H20BrClN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00