3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide

C15H11F3N2O4 — CID 16960800

IUPAC3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccccc2OC(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H11F3N2O4/c1-9-8-10(6-7-12(9)20(22)23)14(21)19-11-4-2-3-5-13(11)24-15(16,17)18/h2-8H,1H3,(H,19,21)
InChIKeySTJZILYELSFJLB-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.05
Rot. Bonds4

About 3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide

3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide (PubChem CID 16960800) has the molecular formula C15H11F3N2O4 and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
PubChem CID16960800
Molecular FormulaC15H11F3N2O4
Molecular Weight340.26 g/mol
Exact Mass340.07
IUPAC Name3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccccc2OC(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H11F3N2O4/c1-9-8-10(6-7-12(9)20(22)23)14(21)19-11-4-2-3-5-13(11)24-15(16,17)18/h2-8H,1H3,(H,19,21)
InChIKeySTJZILYELSFJLB-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17396372
4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 788210
N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
CID 52725278
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159
3-methyl-4-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16962409
N-[2-(tert-butylcarbamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 17256604
3-nitro-4-(1,2,4-triazol-1-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35204205
2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 2781758
3-methyl-4-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 1251637
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide
CID 3405198
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide (CID 16960800) is 3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide is Cc1cc(C(=O)Nc2ccccc2OC(F)(F)F)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is STJZILYELSFJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4/c1-9-8-10(6-7-12(9)20(22)23)14(21)19-11-4-2-3-5-13(11)24-15(16,17)18/h2-8H,1H3,(H,19,21).
What are the key properties of 3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 340.26 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 16960800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).