N-(3-acetylphenyl)-2-methyl-3-nitrobenzamide

N-(3-acetylphenyl)-2-methyl-3-nitrobenzamide

CAS: 314023-58-0

Formula: C16H14N2O4

SMILES: CC(=O)C1=CC=CC(NC(=O)C2=CC=CC(=C2C)[N+]([O-])=O)=C1

IUPAC: N-(3-acetylphenyl)-2-methyl-3-nitrobenzamide

InChI: InChI=1S/C16H14N2O4/c1-10-14(7-4-8-15(10)18(21)22)16(20)17-13-6-3-5-12(9-13)11(2)19/h3-9H,1-2H3,(H,17,20)

Composition: C (64.42%), H (4.73%), N (9.39%), O (21.45%)

Molar Mass: 298.298

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	298.095356939
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ICMYWIRGHHRUNS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.36
Topological Polar Surface Area	89.31
Polarizability	30.32
Ring Count	2
Rotatable Bond Count	4

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