2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide

C15H11F3N2O4 — CID 110317075

IUPAC2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc([N+](=O)[O-])c(F)c(F)c1F
InChIInChI=1S/C15H11F3N2O4/c1-7-3-4-11(24-2)9(5-7)19-15(21)8-6-10(20(22)23)13(17)14(18)12(8)16/h3-6H,1-2H3,(H,19,21)
InChIKeyRWJPJGIUHXGZPH-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.58
Rot. Bonds4

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

2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide (PubChem CID 110317075) has the molecular formula C15H11F3N2O4 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide
PubChem CID110317075
Molecular FormulaC15H11F3N2O4
Molecular Weight340.26 g/mol
Exact Mass340.07
IUPAC Name2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc([N+](=O)[O-])c(F)c(F)c1F
InChIInChI=1S/C15H11F3N2O4/c1-7-3-4-11(24-2)9(5-7)19-15(21)8-6-10(20(22)23)13(17)14(18)12(8)16/h3-6H,1-2H3,(H,19,21)
InChIKeyRWJPJGIUHXGZPH-UHFFFAOYSA-N
XLogP3.58
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.58
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-methoxyphenyl)-5-nitrobenzamide
CID 110317070
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
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'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide
CID 45000518
3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide
CID 5110983
4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide
CID 54313561
N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide
CID 878122
5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 31121389
5-[(2,4-didodecoxy-5-nitrobenzoyl)amino]-2,4-dimethoxy-N-(5-methyl-2-octoxyphenyl)benzamide
CID 11498926
methyl 2-chloro-5-[(2,3,4-trifluoro-5-nitrobenzoyl)amino]benzoate
CID 110313358
1-N,3-N-bis(3-fluoro-2-nitrophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157429

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide?
The IUPAC name of 2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide (CID 110317075) is 2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide is COc1ccc(C)cc1NC(=O)c1cc([N+](=O)[O-])c(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide?
The InChIKey is RWJPJGIUHXGZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4/c1-7-3-4-11(24-2)9(5-7)19-15(21)8-6-10(20(22)23)13(17)14(18)12(8)16/h3-6H,1-2H3,(H,19,21).
What are the key properties of 2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide?
2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide has a molecular weight of 340.26 g/mol, XLogP of 3.58, 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-methoxy-5-methylphenyl)-5-nitrobenzamide is sourced from PubChem (CID 110317075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).