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

C15H11F3N2O4 — CID 17396372

IUPAC4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H11F3N2O4/c1-9-6-7-10(8-12(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)
InChIKeyUMWNNFQSSZDIRI-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.05
Rot. Bonds4

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

4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide (PubChem CID 17396372) has the molecular formula C15H11F3N2O4 and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
PubChem CID17396372
Molecular FormulaC15H11F3N2O4
Molecular Weight340.26 g/mol
Exact Mass340.07
IUPAC Name4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H11F3N2O4/c1-9-6-7-10(8-12(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)
InChIKeyUMWNNFQSSZDIRI-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

3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16960800
4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide
CID 3405198
4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 788210
3-nitro-4-(1,2,4-triazol-1-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35204205
N-(2-cyanophenyl)-4-methyl-3-nitrobenzamide
CID 24710737
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
CID 99997717
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 2781758
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
CID 26363954

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide (CID 17396372) is 4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is UMWNNFQSSZDIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4/c1-9-6-7-10(8-12(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 4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
4-methyl-3-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 4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 17396372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).