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

C15H11F3N2O3 — CID 3834916

IUPAC4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F3N2O3/c1-9-2-4-10(5-3-9)14(21)19-11-6-7-13(20(22)23)12(8-11)15(16,17)18/h2-8H,1H3,(H,19,21)
InChIKeyIHBZEBUBPFYVLC-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.17
Rot. Bonds3

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

4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 3834916) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide
PubChem CID3834916
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Name4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F3N2O3/c1-9-2-4-10(5-3-9)14(21)19-11-6-7-13(20(22)23)12(8-11)15(16,17)18/h2-8H,1H3,(H,19,21)
InChIKeyIHBZEBUBPFYVLC-UHFFFAOYSA-N
XLogP4.17
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3,4-difluoro-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide
CID 112807209
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
4-bromo-3,5-dimethoxy-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide
CID 112807205
4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 17013766
3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
CID 17411476
4-methyl-1-nitro-2-(trifluoromethyl)benzene
CID 13455432
2-methoxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 3959919
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 1309008
4-methyl-N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 19174835
3-amino-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide;methanol
CID 143036887
(2R)-2,3-dihydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 102197176
N-(3,4-difluorophenyl)-3-methyl-4-nitrobenzamide
CID 786997

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide (CID 3834916) is 4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is IHBZEBUBPFYVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c1-9-2-4-10(5-3-9)14(21)19-11-6-7-13(20(22)23)12(8-11)15(16,17)18/h2-8H,1H3,(H,19,21).
What are the key properties of 4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide?
4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 324.26 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 3834916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).