2-bromo-N-(3-chloropropyl)-N-[cyano(phenyl)methyl]benzamide

2-bromo-N-(3-chloropropyl)-N-[cyano(phenyl)methyl]benzamide

Formula: C18H16BrClN2O

SMILES: ClCCCN(C(C#N)C1=CC=CC=C1)C(=O)C1=CC=CC=C1Br

IUPAC: 2-bromo-N-(3-chloropropyl)-N-[cyano(phenyl)methyl]benzamide

InChI: InChI=1/C18H16BrClN2O/c19-16-10-5-4-9-15(16)18(23)22(12-6-11-20)17(13-21)14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-12H2

Composition: C (55.20%), H (4.12%), Br (20.40%), Cl (9.05%), N (7.15%), O (4.08%)

Molar Mass: 391.69

Atom Count: 39

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	390.013454
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BVFZBPLLGTXYCW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.18
Topological Polar Surface Area	44.1
Polarizability	36.39
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16BrClN2O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00