N-(2H-1,3-benzodioxol-5-ylmethyl)-N'-(4-bromo-3-methylphenyl)ethanediamide

N-(2H-1,3-benzodioxol-5-ylmethyl)-N'-(4-bromo-3-methylphenyl)ethanediamide

Formula: C17H15BrN2O4

SMILES: CC1=CC(NC(=O)C(=O)NCC2=CC=C3OCOC3=C2)=CC=C1Br

IUPAC: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-bromo-3-methylphenyl)ethanediamide

InChI: InChI=1S/C17H15BrN2O4/c1-10-6-12(3-4-13(10)18)20-17(22)16(21)19-8-11-2-5-14-15(7-11)24-9-23-14/h2-7H,8-9H2,1H3,(H,19,21)(H,20,22)

Composition: C (52.19%), H (3.86%), Br (20.42%), N (7.16%), O (16.36%)

Molar Mass: 391.221

Atom Count: 39

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	390.02152
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	AVEHIQMFPAGYDJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.48
Topological Polar Surface Area	76.66
Polarizability	34.96
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H15BrN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00