2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide

C22H16FN3O4 — CID 11177198

IUPAC2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide
SMILESO=C(N=c1ccn(O)cc1)C(=O)c1cn(Cc2ccc(F)cc2)c2c(O)cccc12
InChIInChI=1S/C22H16FN3O4/c23-15-6-4-14(5-7-15)12-25-13-18(17-2-1-3-19(27)20(17)25)21(28)22(29)24-16-8-10-26(30)11-9-16/h1-11,13,27,30H,12H2
InChIKeyUWICNWHPFGANDL-UHFFFAOYSA-N
MW405.39 g/mol
LogP2.88
Rot. Bonds4

About 2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide

2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide (PubChem CID 11177198) has the molecular formula C22H16FN3O4 and a molecular weight of 405.39 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide
PubChem CID11177198
Molecular FormulaC22H16FN3O4
Molecular Weight405.39 g/mol
Exact Mass405.11
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide
SMILESO=C(N=c1ccn(O)cc1)C(=O)c1cn(Cc2ccc(F)cc2)c2c(O)cccc12
InChIInChI=1S/C22H16FN3O4/c23-15-6-4-14(5-7-15)12-25-13-18(17-2-1-3-19(27)20(17)25)21(28)22(29)24-16-8-10-26(30)11-9-16/h1-11,13,27,30H,12H2
InChIKeyUWICNWHPFGANDL-UHFFFAOYSA-N
XLogP2.88
TPSA96.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide (CID 11177198) is 2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide is O=C(N=c1ccn(O)cc1)C(=O)c1cn(Cc2ccc(F)cc2)c2c(O)cccc12.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide?
The InChIKey is UWICNWHPFGANDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O4/c23-15-6-4-14(5-7-15)12-25-13-18(17-2-1-3-19(27)20(17)25)21(28)22(29)24-16-8-10-26(30)11-9-16/h1-11,13,27,30H,12H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide?
2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide has a molecular weight of 405.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-(1-hydroxy-4-pyridinylidene)-2-oxoacetamide is sourced from PubChem (CID 11177198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).