N-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide

C21H15F3N2O2S — CID 155535974

IUPACN-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1
InChIInChI=1S/C21H15F3N2O2S/c22-21(23,24)15-9-10-19-17(11-15)26(16-3-1-2-4-18(16)29-19)12-13-5-7-14(8-6-13)20(27)25-28/h1-11,28H,12H2,(H,25,27)
InChIKeyGRKNLMXQUPJNQM-UHFFFAOYSA-N
MW416.42 g/mol
LogP5.63
Rot. Bonds3

About N-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide

N-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide (PubChem CID 155535974) has the molecular formula C21H15F3N2O2S and a molecular weight of 416.42 g/mol. Its IUPAC name is N-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide
PubChem CID155535974
Molecular FormulaC21H15F3N2O2S
Molecular Weight416.42 g/mol
Exact Mass416.08
IUPAC NameN-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1
InChIInChI=1S/C21H15F3N2O2S/c22-21(23,24)15-9-10-19-17(11-15)26(16-3-1-2-4-18(16)29-19)12-13-5-7-14(8-6-13)20(27)25-28/h1-11,28H,12H2,(H,25,27)
InChIKeyGRKNLMXQUPJNQM-UHFFFAOYSA-N
XLogP5.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.42
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide (CID 155535974) is N-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide is O=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1.
What is the InChIKey of N-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide?
The InChIKey is GRKNLMXQUPJNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2S/c22-21(23,24)15-9-10-19-17(11-15)26(16-3-1-2-4-18(16)29-19)12-13-5-7-14(8-6-13)20(27)25-28/h1-11,28H,12H2,(H,25,27).
What are the key properties of N-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide?
N-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide has a molecular weight of 416.42 g/mol, XLogP of 5.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-(trifluoromethyl)phenothiazin-10-yl]methyl]benzamide is sourced from PubChem (CID 155535974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).