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

C14H9F3N2O3 — CID 60594295

IUPAC2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H9F3N2O3/c1-7-2-3-8(19(21)22)6-9(7)14(20)18-11-5-4-10(15)12(16)13(11)17/h2-6H,1H3,(H,18,20)
InChIKeyJJHBMVJBUVQDBB-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.57
Rot. Bonds3

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

2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 60594295) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID60594295
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H9F3N2O3/c1-7-2-3-8(19(21)22)6-9(7)14(20)18-11-5-4-10(15)12(16)13(11)17/h2-6H,1H3,(H,18,20)
InChIKeyJJHBMVJBUVQDBB-UHFFFAOYSA-N
XLogP3.57
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.57
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
5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 55752798
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963040
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905
N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide
CID 65429191
2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 110317109
4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide
CID 115745847
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 828117
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
N-(4-aminophenyl)-2-methyl-5-nitrobenzamide
CID 63214788

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide (CID 60594295) is 2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide is Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is JJHBMVJBUVQDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c1-7-2-3-8(19(21)22)6-9(7)14(20)18-11-5-4-10(15)12(16)13(11)17/h2-6H,1H3,(H,18,20).
What are the key properties of 2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide?
2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 310.23 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 60594295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).