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

C15H11F3N2O3 — CID 22245166

IUPACN-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(C(=O)c1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O3/c1-19(11-6-4-5-10(9-11)15(16,17)18)14(21)12-7-2-3-8-13(12)20(22)23/h2-9H,1H3
InChIKeyHAQCNCZTZHXREF-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.89
Rot. Bonds3

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

N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 22245166) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID22245166
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC NameN-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(C(=O)c1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O3/c1-19(11-6-4-5-10(9-11)15(16,17)18)14(21)12-7-2-3-8-13(12)20(22)23/h2-9H,1H3
InChIKeyHAQCNCZTZHXREF-UHFFFAOYSA-N
XLogP3.89
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.89
H-Bond Donors ≤ 50
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

N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 118041352
2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide
CID 115703339
N-(4-methoxyphenyl)-2-nitro-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 34310285
N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide
CID 139644460
5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 70483864
3,5-dichloro-N-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1475846
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 16959400
2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide
CID 53437295
2-nitro-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 58897891
[3-(trifluoromethyl)phenyl]methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510899
N-methoxy-N-methyl-2-nitrobenzamide
CID 4779158
N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide
CID 28739109

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide (CID 22245166) is N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide is CN(C(=O)c1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HAQCNCZTZHXREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c1-19(11-6-4-5-10(9-11)15(16,17)18)14(21)12-7-2-3-8-13(12)20(22)23/h2-9H,1H3.
What are the key properties of N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 324.26 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 22245166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).