2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide

C14H8F3N3O6 — CID 141401924

IUPAC2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H8F3N3O6/c15-14(16,17)10-6-8(20(25)26)1-3-11(10)18-13(22)9-5-7(19(23)24)2-4-12(9)21/h1-6,21H,(H,18,22)
InChIKeyHMAQDCPOVSTOSV-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.48
Rot. Bonds4

About 2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide

2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 141401924) has the molecular formula C14H8F3N3O6 and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide
PubChem CID141401924
Molecular FormulaC14H8F3N3O6
Molecular Weight371.23 g/mol
Exact Mass371.04
IUPAC Name2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H8F3N3O6/c15-14(16,17)10-6-8(20(25)26)1-3-11(10)18-13(22)9-5-7(19(23)24)2-4-12(9)21/h1-6,21H,(H,18,22)
InChIKeyHMAQDCPOVSTOSV-UHFFFAOYSA-N
XLogP3.48
TPSA135.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide
CID 155662759
2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 18543314
5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
(2R)-2-chloro-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide
CID 7063301
2-bromo-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide
CID 114014303
1-(2-hydroxy-4-nitrophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 157365653
2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 83342973
2-fluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide;N-[4-nitro-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 161450326
2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
CID 54935573
5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603991
2-[4-nitro-2-(trifluoromethyl)anilino]ethanol
CID 2914060
2-[4-nitro-2-(trifluoromethyl)anilino]propanamide
CID 54935716

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide (CID 141401924) is 2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HMAQDCPOVSTOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O6/c15-14(16,17)10-6-8(20(25)26)1-3-11(10)18-13(22)9-5-7(19(23)24)2-4-12(9)21/h1-6,21H,(H,18,22).
What are the key properties of 2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide?
2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 371.23 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 141401924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).