2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide

C14H7F5N2O4 — CID 2781758

IUPAC2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H7F5N2O4/c15-7-5-6-9(21(23)24)12(16)11(7)13(22)20-8-3-1-2-4-10(8)25-14(17,18)19/h1-6H,(H,20,22)
InChIKeyHLUFLZRPFOCYKH-UHFFFAOYSA-N
MW362.21 g/mol
LogP4.02
Rot. Bonds4

About 2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide

2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide (PubChem CID 2781758) has the molecular formula C14H7F5N2O4 and a molecular weight of 362.21 g/mol. Its IUPAC name is 2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
PubChem CID2781758
Molecular FormulaC14H7F5N2O4
Molecular Weight362.21 g/mol
Exact Mass362.03
IUPAC Name2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H7F5N2O4/c15-7-5-6-9(21(23)24)12(16)11(7)13(22)20-8-3-1-2-4-10(8)25-14(17,18)19/h1-6H,(H,20,22)
InChIKeyHLUFLZRPFOCYKH-UHFFFAOYSA-N
XLogP4.02
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 54.02
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-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 788210
4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17396372
N-[2-(trifluoromethoxy)phenyl]nitramide
CID 70612792
2-fluoro-3-methyl-1-nitro-4-(trifluoromethoxy)benzene
CID 134620278
[(2,6-difluoro-3-nitrobenzoyl)amino]urea
CID 79772861
3-nitro-4-(1,2,4-triazol-1-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35204205
N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide
CID 69363833
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074
1-[(2,6-difluoro-3-nitrobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 79773753
2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034362
2,6-difluoro-3-nitrobenzamide
CID 2780101

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide (CID 2781758) is 2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccccc1OC(F)(F)F)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of 2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is HLUFLZRPFOCYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5N2O4/c15-7-5-6-9(21(23)24)12(16)11(7)13(22)20-8-3-1-2-4-10(8)25-14(17,18)19/h1-6H,(H,20,22).
What are the key properties of 2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 362.21 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 2781758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).