2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide

C14H9F3N2O4 — CID 110317070

IUPAC2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide
SMILESCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(F)c(F)c1F
InChIInChI=1S/C14H9F3N2O4/c1-23-10-5-3-2-4-8(10)18-14(20)7-6-9(19(21)22)12(16)13(17)11(7)15/h2-6H,1H3,(H,18,20)
InChIKeyUGQGDXSQIJCPNU-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.27
Rot. Bonds4

About 2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide

2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide (PubChem CID 110317070) has the molecular formula C14H9F3N2O4 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide
PubChem CID110317070
Molecular FormulaC14H9F3N2O4
Molecular Weight326.23 g/mol
Exact Mass326.05
IUPAC Name2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide
SMILESCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(F)c(F)c1F
InChIInChI=1S/C14H9F3N2O4/c1-23-10-5-3-2-4-8(10)18-14(20)7-6-9(19(21)22)12(16)13(17)11(7)15/h2-6H,1H3,(H,18,20)
InChIKeyUGQGDXSQIJCPNU-UHFFFAOYSA-N
XLogP3.27
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide
CID 110317075
4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181
2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 110317109
1-N,3-N-bis(2-fluoro-3-nitrophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157410
N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide
CID 110317083
2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 1371919
5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 31121389
2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide
CID 38112763
2-(2-methoxyphenoxy)-N-(2-nitrophenyl)benzamide
CID 38114692
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681
1-(4-fluoro-2-nitrophenyl)-3-(2-methoxyphenyl)thiourea
CID 19687362
[2-[(3-methoxy-4-nitrobenzoyl)amino]phenyl] 3-methoxy-4-nitrobenzoate
CID 22010896

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide?
The IUPAC name of 2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide (CID 110317070) is 2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide is COc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide?
The InChIKey is UGQGDXSQIJCPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O4/c1-23-10-5-3-2-4-8(10)18-14(20)7-6-9(19(21)22)12(16)13(17)11(7)15/h2-6H,1H3,(H,18,20).
What are the key properties of 2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide?
2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide is sourced from PubChem (CID 110317070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).