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

C14H9F3N2O4 — CID 788210

IUPAC4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9F3N2O4/c15-14(16,17)23-12-4-2-1-3-11(12)18-13(20)9-5-7-10(8-6-9)19(21)22/h1-8H,(H,18,20)
InChIKeyZRRRCBVFIBRITN-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.75
Rot. Bonds4

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

4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide (PubChem CID 788210) has the molecular formula C14H9F3N2O4 and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
PubChem CID788210
Molecular FormulaC14H9F3N2O4
Molecular Weight326.23 g/mol
Exact Mass326.05
IUPAC Name4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9F3N2O4/c15-14(16,17)23-12-4-2-1-3-11(12)18-13(20)9-5-7-10(8-6-9)19(21)22/h1-8H,(H,18,20)
InChIKeyZRRRCBVFIBRITN-UHFFFAOYSA-N
XLogP3.75
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.75
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

4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17396372
3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16960800
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 2781758
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159
6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
CID 28880165
N-[2-(trifluoromethoxy)phenyl]nitramide
CID 70612792
3-nitro-4-(1,2,4-triazol-1-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35204205
4-(cyclopropylsulfamoyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35203522
6-methyl-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 18149472

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide (CID 788210) is 4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is ZRRRCBVFIBRITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O4/c15-14(16,17)23-12-4-2-1-3-11(12)18-13(20)9-5-7-10(8-6-9)19(21)22/h1-8H,(H,18,20).
What are the key properties of 4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide?
4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 326.23 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 788210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).