2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide

C21H14ClN3O3 — CID 46227978

IUPAC2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Cl)c(O)c2)c2ccccc12
InChIInChI=1S/C21H14ClN3O3/c22-17-6-5-14(11-19(17)26)25-12-16(15-3-1-2-4-18(15)25)20(27)21(28)24-13-7-9-23-10-8-13/h1-12,26H,(H,23,24,28)
InChIKeyTXQPGVRJKSLEGY-UHFFFAOYSA-N
MW391.81 g/mol
LogP4.21
Rot. Bonds4

About 2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide

2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (PubChem CID 46227978) has the molecular formula C21H14ClN3O3 and a molecular weight of 391.81 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
PubChem CID46227978
Molecular FormulaC21H14ClN3O3
Molecular Weight391.81 g/mol
Exact Mass391.07
IUPAC Name2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Cl)c(O)c2)c2ccccc12
InChIInChI=1S/C21H14ClN3O3/c22-17-6-5-14(11-19(17)26)25-12-16(15-3-1-2-4-18(15)25)20(27)21(28)24-13-7-9-23-10-8-13/h1-12,26H,(H,23,24,28)
InChIKeyTXQPGVRJKSLEGY-UHFFFAOYSA-N
XLogP4.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (CID 46227978) is 2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Cl)c(O)c2)c2ccccc12.
What is the InChIKey of 2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The InChIKey is TXQPGVRJKSLEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O3/c22-17-6-5-14(11-19(17)26)25-12-16(15-3-1-2-4-18(15)25)20(27)21(28)24-13-7-9-23-10-8-13/h1-12,26H,(H,23,24,28).
What are the key properties of 2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide has a molecular weight of 391.81 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is sourced from PubChem (CID 46227978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).