3-bromo-N-(3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propyl)benzamide

3-bromo-N-(3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propyl)benzamide

Formula: C17H15BrF3N3O3

SMILES: [O-][N+](=O)C1=CC(=CC=C1NCCCNC(=O)C1=CC(Br)=CC=C1)C(F)(F)F

IUPAC: 3-bromo-N-(3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propyl)benzamide

InChI: InChI=1S/C17H15BrF3N3O3/c18-13-4-1-3-11(9-13)16(25)23-8-2-7-22-14-6-5-12(17(19,20)21)10-15(14)24(26)27/h1,3-6,9-10,22H,2,7-8H2,(H,23,25)

Composition: C (45.76%), H (3.39%), Br (17.91%), F (12.77%), N (9.42%), O (10.76%)

Molar Mass: 446.224

Atom Count: 42

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	445.024889
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WVXMNPUEHOBTAU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.1
Topological Polar Surface Area	84.27
Polarizability	35.52
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H15BrF3N3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00