4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide

C16H12FN3O4 — CID 137224532

IUPAC4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide
SMILESO=Nc1c(O)n(Cc2ccc(C(=O)NO)cc2)c2ccc(F)cc12
InChIInChI=1S/C16H12FN3O4/c17-11-5-6-13-12(7-11)14(18-23)16(22)20(13)8-9-1-3-10(4-2-9)15(21)19-24/h1-7,22,24H,8H2,(H,19,21)
InChIKeyAHVLHHBFQVSWCD-UHFFFAOYSA-N
MW329.29 g/mol
LogP3.05
Rot. Bonds4

About 4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide

4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide (PubChem CID 137224532) has the molecular formula C16H12FN3O4 and a molecular weight of 329.29 g/mol. Its IUPAC name is 4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide
PubChem CID137224532
Molecular FormulaC16H12FN3O4
Molecular Weight329.29 g/mol
Exact Mass329.08
IUPAC Name4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide
SMILESO=Nc1c(O)n(Cc2ccc(C(=O)NO)cc2)c2ccc(F)cc12
InChIInChI=1S/C16H12FN3O4/c17-11-5-6-13-12(7-11)14(18-23)16(22)20(13)8-9-1-3-10(4-2-9)15(21)19-24/h1-7,22,24H,8H2,(H,19,21)
InChIKeyAHVLHHBFQVSWCD-UHFFFAOYSA-N
XLogP3.05
TPSA103.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide 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 4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide (CID 137224532) is 4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide is O=Nc1c(O)n(Cc2ccc(C(=O)NO)cc2)c2ccc(F)cc12.
What is the InChIKey of 4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide?
The InChIKey is AHVLHHBFQVSWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O4/c17-11-5-6-13-12(7-11)14(18-23)16(22)20(13)8-9-1-3-10(4-2-9)15(21)19-24/h1-7,22,24H,8H2,(H,19,21).
What are the key properties of 4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide?
4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide has a molecular weight of 329.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-hydroxy-3-nitrosoindol-1-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 137224532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).