4-chloro-N-{3-[(6-methylpyridin-3-yl)formamido]propyl}-3-nitrobenzamide

4-chloro-N-{3-[(6-methylpyridin-3-yl)formamido]propyl}-3-nitrobenzamide

Formula: C17H17ClN4O4

SMILES: CC1=CC=C(C=N1)C(=O)NCCCNC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O

IUPAC: 4-chloro-N-{3-[(6-methylpyridin-3-yl)formamido]propyl}-3-nitrobenzamide

InChI: InChI=1S/C17H17ClN4O4/c1-11-3-4-13(10-21-11)17(24)20-8-2-7-19-16(23)12-5-6-14(18)15(9-12)22(25)26/h3-6,9-10H,2,7-8H2,1H3,(H,19,23)(H,20,24)

Composition: C (54.19%), H (4.55%), Cl (9.41%), N (14.87%), O (16.98%)

Molar Mass: 376.8

Atom Count: 43

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	376.0938327
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	PEXKFIDTRDYRRI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.52
Topological Polar Surface Area	114.23
Polarizability	35.88
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H17ClN4O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00