5-nitro-2-(trifluoromethoxy)benzamide

C8H5F3N2O4 — CID 131869132

IUPAC5-nitro-2-(trifluoromethoxy)benzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)(F)F
InChIInChI=1S/C8H5F3N2O4/c9-8(10,11)17-6-2-1-4(13(15)16)3-5(6)7(12)14/h1-3H,(H2,12,14)
InChIKeyGTZPJWMCNAXJDS-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.59
Rot. Bonds3

About 5-nitro-2-(trifluoromethoxy)benzamide

5-nitro-2-(trifluoromethoxy)benzamide (PubChem CID 131869132) has the molecular formula C8H5F3N2O4 and a molecular weight of 250.13 g/mol. Its IUPAC name is 5-nitro-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name5-nitro-2-(trifluoromethoxy)benzamide
PubChem CID131869132
Molecular FormulaC8H5F3N2O4
Molecular Weight250.13 g/mol
Exact Mass250.02
IUPAC Name5-nitro-2-(trifluoromethoxy)benzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)(F)F
InChIInChI=1S/C8H5F3N2O4/c9-8(10,11)17-6-2-1-4(13(15)16)3-5(6)7(12)14/h1-3H,(H2,12,14)
InChIKeyGTZPJWMCNAXJDS-UHFFFAOYSA-N
XLogP1.59
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.59
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'}

Analyze 5-nitro-2-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminooxy-5-nitrobenzamide
CID 79421918
2-bromo-1-[5-nitro-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619047
4-nitro-2-(trifluoromethoxy)aniline
CID 56973585
5-bromo-2-(trifluoromethoxy)benzamide
CID 155804273
2-iodo-4-nitro-1-(trifluoromethoxy)benzene
CID 56604200
2-methylsulfonyl-4-nitro-1-(trifluoromethoxy)benzene
CID 22311166
2-(2-amino-2-methylbutoxy)-5-nitrobenzamide
CID 64574498
1-chloro-4-nitro-2-(trifluoromethoxy)benzene
CID 71669332
[4-nitro-2-(trifluoromethoxy)phenyl]hydrazine
CID 118807665
2-(difluoromethoxy)-4-nitro-1-(trifluoromethoxy)benzene
CID 46311619
[4-nitro-2-(trifluoromethoxy)phenyl]methanol
CID 171028715
2-(3-bromo-5-fluorophenoxy)-5-nitrobenzamide
CID 81314087

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(trifluoromethoxy)benzamide?
The IUPAC name of 5-nitro-2-(trifluoromethoxy)benzamide (CID 131869132) is 5-nitro-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for 5-nitro-2-(trifluoromethoxy)benzamide?
The canonical SMILES for 5-nitro-2-(trifluoromethoxy)benzamide is NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)(F)F.
What is the InChIKey of 5-nitro-2-(trifluoromethoxy)benzamide?
The InChIKey is GTZPJWMCNAXJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O4/c9-8(10,11)17-6-2-1-4(13(15)16)3-5(6)7(12)14/h1-3H,(H2,12,14).
What are the key properties of 5-nitro-2-(trifluoromethoxy)benzamide?
5-nitro-2-(trifluoromethoxy)benzamide has a molecular weight of 250.13 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 131869132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).