N-[4-(2-hydroxyethyl)phenyl]-2-(4-nitrobenzamido)benzamide

N-[4-(2-hydroxyethyl)phenyl]-2-(4-nitrobenzamido)benzamide

CAS: 1253452-78-6

Formula: C22H19N3O5

SMILES: OCCC1=CC=C(NC(=O)C2=CC=CC=C2NC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1

IUPAC: N-[4-(2-hydroxyethyl)phenyl]-2-(4-nitrobenzamido)benzamide

InChI: InChI=1S/C22H19N3O5/c26-14-13-15-5-9-17(10-6-15)23-22(28)19-3-1-2-4-20(19)24-21(27)16-7-11-18(12-8-16)25(29)30/h1-12,26H,13-14H2,(H,23,28)(H,24,27)

Composition: C (65.18%), H (4.72%), N (10.37%), O (19.73%)

Molar Mass: 405.41

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	405.132470724
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	LTWQQWSXYYXVGA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.02
Topological Polar Surface Area	121.57
Polarizability	41.65
Ring Count	3
Rotatable Bond Count	7

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