N-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide

C23H20FN3O3 — CID 166335283

IUPACN-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)Cc2ccccc21)c1ccc(Oc2cccnc2)c(F)c1
InChIInChI=1S/C23H20FN3O3/c1-15(16-8-9-21(19(24)11-16)30-18-6-4-10-25-13-18)26-22(28)14-27-20-7-3-2-5-17(20)12-23(27)29/h2-11,13,15H,12,14H2,1H3,(H,26,28)
InChIKeyJXIZLMPBTJWGRJ-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.78
Rot. Bonds6

About N-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide

N-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide (PubChem CID 166335283) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide
PubChem CID166335283
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC NameN-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)Cc2ccccc21)c1ccc(Oc2cccnc2)c(F)c1
InChIInChI=1S/C23H20FN3O3/c1-15(16-8-9-21(19(24)11-16)30-18-6-4-10-25-13-18)26-22(28)14-27-20-7-3-2-5-17(20)12-23(27)29/h2-11,13,15H,12,14H2,1H3,(H,26,28)
InChIKeyJXIZLMPBTJWGRJ-UHFFFAOYSA-N
XLogP3.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide?
The IUPAC name of N-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide (CID 166335283) is N-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide.
What is the SMILES notation for N-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide?
The canonical SMILES for N-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide is CC(NC(=O)CN1C(=O)Cc2ccccc21)c1ccc(Oc2cccnc2)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide?
The InChIKey is JXIZLMPBTJWGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-15(16-8-9-21(19(24)11-16)30-18-6-4-10-25-13-18)26-22(28)14-27-20-7-3-2-5-17(20)12-23(27)29/h2-11,13,15H,12,14H2,1H3,(H,26,28).
What are the key properties of N-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide?
N-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide has a molecular weight of 405.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide is sourced from PubChem (CID 166335283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).