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N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide

N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide

CAS: 221876-21-7

Formula: C15H11F3N2O3

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

IUPAC: N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide

InChI: InChI=1S/C15H11F3N2O3/c1-9-5-6-12(8-13(9)20(22)23)19-14(21)10-3-2-4-11(7-10)15(16,17)18/h2-8H,1H3,(H,19,21)

Composition: C (55.56%), H (3.42%), F (17.58%), N (8.64%), O (14.80%)

Molar Mass: 324.259

Atom Count: 34

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 324.072176711
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MWVNSIAUXRLDHJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.93
Topological Polar Surface Area 72.24
Polarizability 27.78
Ring Count 2
Rotatable Bond Count 4

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