2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide

C11H11F3N2O5 — CID 71458005

IUPAC2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1O
InChIInChI=1S/C11H11F3N2O5/c1-10(2,19)9(18)15-5-3-4-6(16(20)21)7(8(5)17)11(12,13)14/h3-4,17,19H,1-2H3,(H,15,18)
InChIKeyTXGBFMUJGCQMKI-UHFFFAOYSA-N
MW308.21 g/mol
LogP2.03
Rot. Bonds3

About 2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide

2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide (PubChem CID 71458005) has the molecular formula C11H11F3N2O5 and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide
PubChem CID71458005
Molecular FormulaC11H11F3N2O5
Molecular Weight308.21 g/mol
Exact Mass308.06
IUPAC Name2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1O
InChIInChI=1S/C11H11F3N2O5/c1-10(2,19)9(18)15-5-3-4-6(16(20)21)7(8(5)17)11(12,13)14/h3-4,17,19H,1-2H3,(H,15,18)
InChIKeyTXGBFMUJGCQMKI-UHFFFAOYSA-N
XLogP2.03
TPSA112.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide (CID 71458005) is 2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide is CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1O.
What is the InChIKey of 2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The InChIKey is TXGBFMUJGCQMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O5/c1-10(2,19)9(18)15-5-3-4-6(16(20)21)7(8(5)17)11(12,13)14/h3-4,17,19H,1-2H3,(H,15,18).
What are the key properties of 2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide has a molecular weight of 308.21 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-hydroxy-4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 71458005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).