N-(4-methylphenyl)-3,5-dinitro-2-[(2-phenylethyl)amino]benzamide

N-(4-methylphenyl)-3,5-dinitro-2-[(2-phenylethyl)amino]benzamide

Formula: C22H20N4O5

SMILES: CC1=CC=C(NC(=O)C2=CC(=CC(=C2NCCC2=CC=CC=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1

IUPAC: N-(4-methylphenyl)-3,5-dinitro-2-[(2-phenylethyl)amino]benzamide

InChI: InChI=1S/C22H20N4O5/c1-15-7-9-17(10-8-15)24-22(27)19-13-18(25(28)29)14-20(26(30)31)21(19)23-12-11-16-5-3-2-4-6-16/h2-10,13-14,23H,11-12H2,1H3,(H,24,27)

Composition: C (62.85%), H (4.80%), N (13.33%), O (19.03%)

Molar Mass: 420.425

Atom Count: 51

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	420.14336976
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	MLPFVXAJLKMIJI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	118.84
Topological Polar Surface Area	127.41
Polarizability	42.79
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H20N4O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00