N-(4-chlorophenyl)-2-(cyclohexylamino)-3,5-dinitrobenzamide

N-(4-chlorophenyl)-2-(cyclohexylamino)-3,5-dinitrobenzamide

Formula: C19H19ClN4O5

SMILES: [O-][N+](=O)C1=CC(=C(NC2CCCCC2)C(=C1)C(=O)NC1=CC=C(Cl)C=C1)[N+]([O-])=O

IUPAC: N-(4-chlorophenyl)-2-(cyclohexylamino)-3,5-dinitrobenzamide

InChI: InChI=1S/C19H19ClN4O5/c20-12-6-8-14(9-7-12)22-19(25)16-10-15(23(26)27)11-17(24(28)29)18(16)21-13-4-2-1-3-5-13/h6-11,13,21H,1-5H2,(H,22,25)

Composition: C (54.49%), H (4.57%), Cl (8.46%), N (13.38%), O (19.10%)

Molar Mass: 418.83

Atom Count: 48

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	418.1043974
Formal Charge	0
FSP3	0.32
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	PXKNWLPOGFDTEA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	110.25
Topological Polar Surface Area	127.41
Polarizability	40.11
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H19ClN4O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00