2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide

C21H11F5N2O4 — CID 18543617

IUPAC2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(c1ccccc1F)N(C(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C21H11F5N2O4/c22-16-7-3-1-5-13(16)19(29)27(20(30)14-6-2-4-8-17(14)23)18-10-9-12(28(31)32)11-15(18)21(24,25)26/h1-11H
InChIKeyFIQWHWWUPVYDJZ-UHFFFAOYSA-N
MW450.32 g/mol
LogP5.38
Rot. Bonds4

About 2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide

2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 18543617) has the molecular formula C21H11F5N2O4 and a molecular weight of 450.32 g/mol. Its IUPAC name is 2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide
PubChem CID18543617
Molecular FormulaC21H11F5N2O4
Molecular Weight450.32 g/mol
Exact Mass450.06
IUPAC Name2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(c1ccccc1F)N(C(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C21H11F5N2O4/c22-16-7-3-1-5-13(16)19(29)27(20(30)14-6-2-4-8-17(14)23)18-10-9-12(28(31)32)11-15(18)21(24,25)26/h1-11H
InChIKeyFIQWHWWUPVYDJZ-UHFFFAOYSA-N
XLogP5.38
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.32
LogP ≤ 55.38
H-Bond Donors ≤ 50
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene
CID 46314596
N-[2-[N-methyl-4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide
CID 166428251
2-fluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide;N-[4-nitro-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 161450326
[4-nitro-2-(trifluoromethyl)benzoyl] 3-fluoro-2-(trifluoromethyl)benzoate
CID 177393658
2-[N-cyclobutyl-4-nitro-2-(trifluoromethyl)anilino]ethanol
CID 102869037
N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine
CID 66181419
2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 18543314
2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide
CID 62161761
2-amino-N-[2-[2-(2-fluorobenzoyl)-N-methyl-4-nitroanilino]-2-oxoethyl]acetamide;hydrochloride
CID 169432932
[4-nitro-2-(trifluoromethyl)phenyl]boronic acid
CID 15541255
2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide
CID 141401924
1-(2-hydroxy-4-nitrophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 157365653

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide (CID 18543617) is 2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide is O=C(c1ccccc1F)N(C(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of 2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FIQWHWWUPVYDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F5N2O4/c22-16-7-3-1-5-13(16)19(29)27(20(30)14-6-2-4-8-17(14)23)18-10-9-12(28(31)32)11-15(18)21(24,25)26/h1-11H.
What are the key properties of 2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide?
2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 450.32 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 18543617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).