2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide

C22H18FN3O2 — CID 10667175

IUPAC2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1cn(Cc2ccc(F)cc2)c2cc(O)ccc12)Nc1ccncc1
InChIInChI=1S/C22H18FN3O2/c23-17-3-1-15(2-4-17)13-26-14-16(20-6-5-19(27)12-21(20)26)11-22(28)25-18-7-9-24-10-8-18/h1-10,12,14,27H,11,13H2,(H,24,25,28)
InChIKeyZFCDLWUKULWPJT-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.11
Rot. Bonds5

About 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide

2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide (PubChem CID 10667175) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide
PubChem CID10667175
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1cn(Cc2ccc(F)cc2)c2cc(O)ccc12)Nc1ccncc1
InChIInChI=1S/C22H18FN3O2/c23-17-3-1-15(2-4-17)13-26-14-16(20-6-5-19(27)12-21(20)26)11-22(28)25-18-7-9-24-10-8-18/h1-10,12,14,27H,11,13H2,(H,24,25,28)
InChIKeyZFCDLWUKULWPJT-UHFFFAOYSA-N
XLogP4.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide (CID 10667175) is 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide is O=C(Cc1cn(Cc2ccc(F)cc2)c2cc(O)ccc12)Nc1ccncc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide?
The InChIKey is ZFCDLWUKULWPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-17-3-1-15(2-4-17)13-26-14-16(20-6-5-19(27)12-21(20)26)11-22(28)25-18-7-9-24-10-8-18/h1-10,12,14,27H,11,13H2,(H,24,25,28).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide?
2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide has a molecular weight of 375.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 10667175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).