4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide

C15H12FN3O2 — CID 154515077

IUPAC4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide
SMILESNC(=NO)c1cn(-c2ccc(O)cc2)c2cccc(F)c12
InChIInChI=1S/C15H12FN3O2/c16-12-2-1-3-13-14(12)11(15(17)18-21)8-19(13)9-4-6-10(20)7-5-9/h1-8,20-21H,(H2,17,18)
InChIKeyIWXLLYSTOKMSBK-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.57
Rot. Bonds2

About 4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide

4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide (PubChem CID 154515077) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide.

Molecular Properties

Compound Name4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide
PubChem CID154515077
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide
SMILESNC(=NO)c1cn(-c2ccc(O)cc2)c2cccc(F)c12
InChIInChI=1S/C15H12FN3O2/c16-12-2-1-3-13-14(12)11(15(17)18-21)8-19(13)9-4-6-10(20)7-5-9/h1-8,20-21H,(H2,17,18)
InChIKeyIWXLLYSTOKMSBK-UHFFFAOYSA-N
XLogP2.57
TPSA83.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide?
The IUPAC name of 4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide (CID 154515077) is 4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide.
What is the SMILES notation for 4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide?
The canonical SMILES for 4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide is NC(=NO)c1cn(-c2ccc(O)cc2)c2cccc(F)c12.
What is the InChIKey of 4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide?
The InChIKey is IWXLLYSTOKMSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-12-2-1-3-13-14(12)11(15(17)18-21)8-19(13)9-4-6-10(20)7-5-9/h1-8,20-21H,(H2,17,18).
What are the key properties of 4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide?
4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide has a molecular weight of 285.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide is sourced from PubChem (CID 154515077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).