2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide

C13H4F6N2O3 — CID 110317109

IUPAC2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc([N+](=O)[O-])c(F)c(F)c1F
InChIInChI=1S/C13H4F6N2O3/c14-5-1-2-6(10(17)9(5)16)20-13(22)4-3-7(21(23)24)11(18)12(19)8(4)15/h1-3H,(H,20,22)
InChIKeyDWCHDMKUSCGHTO-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.68
Rot. Bonds3

About 2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide

2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 110317109) has the molecular formula C13H4F6N2O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID110317109
Molecular FormulaC13H4F6N2O3
Molecular Weight350.17 g/mol
Exact Mass350.01
IUPAC Name2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc([N+](=O)[O-])c(F)c(F)c1F
InChIInChI=1S/C13H4F6N2O3/c14-5-1-2-6(10(17)9(5)16)20-13(22)4-3-7(21(23)24)11(18)12(19)8(4)15/h1-3H,(H,20,22)
InChIKeyDWCHDMKUSCGHTO-UHFFFAOYSA-N
XLogP3.68
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dinitro-N-(2,3,4-trifluorophenyl)benzamide
CID 9095279
2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 110317070
4-methylsulfanyl-3-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 7958703
2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 60594295
5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide
CID 84576319
2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide
CID 110317075
N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide
CID 110317083
methyl 2-chloro-5-[(2,3,4-trifluoro-5-nitrobenzoyl)amino]benzoate
CID 110313358
N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
CID 51971054
N-(2,3,4-trifluoro-5-nitrophenyl)acetamide
CID 156686573
3-nitro-4-(1,2,4-triazol-1-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 17405243
5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 55752798

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide (CID 110317109) is 2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide is O=C(Nc1ccc(F)c(F)c1F)c1cc([N+](=O)[O-])c(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is DWCHDMKUSCGHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4F6N2O3/c14-5-1-2-6(10(17)9(5)16)20-13(22)4-3-7(21(23)24)11(18)12(19)8(4)15/h1-3H,(H,20,22).
What are the key properties of 2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide?
2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 350.17 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 110317109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).