2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide

C15H11F2N3O2 — CID 145028312

IUPAC2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide
SMILESNC(=NO)c1c(F)n(-c2ccc(O)cc2F)c2ccccc12
InChIInChI=1S/C15H11F2N3O2/c16-10-7-8(21)5-6-12(10)20-11-4-2-1-3-9(11)13(14(20)17)15(18)19-22/h1-7,21-22H,(H2,18,19)
InChIKeyBFWXILSTQAEPRF-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.71
Rot. Bonds2

About 2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide

2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide (PubChem CID 145028312) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide.

Molecular Properties

Compound Name2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide
PubChem CID145028312
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC Name2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide
SMILESNC(=NO)c1c(F)n(-c2ccc(O)cc2F)c2ccccc12
InChIInChI=1S/C15H11F2N3O2/c16-10-7-8(21)5-6-12(10)20-11-4-2-1-3-9(11)13(14(20)17)15(18)19-22/h1-7,21-22H,(H2,18,19)
InChIKeyBFWXILSTQAEPRF-UHFFFAOYSA-N
XLogP2.71
TPSA83.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.71
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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Related Compounds

1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)indole-3-carboximidamide
CID 91357971
2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile
CID 66898110
2-N',3-N',1,4-tetrahydroxynaphthalene-2,3-dicarboximidamide
CID 135496562
3-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]phenol
CID 87343705
1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile
CID 66898006
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-bromo-1-(4-methoxyphenyl)indole-3-carbonitrile;2-(4-fluorophenoxy)-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide;2-(4-fluorophenoxy)-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-(4-fluorophenoxy)-1-(4-methoxyphenyl)indole-3-carbonitrile
CID 172971897
9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole
CID 164577680
4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide
CID 154515077
1-(2,3-difluoro-4-hydroxyphenyl)-2-pyrrol-1-ylindole-3-carboxamide
CID 66898337
2-(2,6-dimethylphenyl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide
CID 51347938
2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide
CID 114883369

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide?
The IUPAC name of 2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide (CID 145028312) is 2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide.
What is the SMILES notation for 2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide?
The canonical SMILES for 2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide is NC(=NO)c1c(F)n(-c2ccc(O)cc2F)c2ccccc12.
What is the InChIKey of 2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide?
The InChIKey is BFWXILSTQAEPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c16-10-7-8(21)5-6-12(10)20-11-4-2-1-3-9(11)13(14(20)17)15(18)19-22/h1-7,21-22H,(H2,18,19).
What are the key properties of 2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide?
2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide has a molecular weight of 303.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide is sourced from PubChem (CID 145028312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).