2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide

C23H24ClN5O5 — CID 135537783

IUPAC2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide
SMILESCC(=O)Nc1ccc(OCC(=O)/N=N/c2c(O)n(CN3CCOCC3)c3ccc(Cl)cc23)cc1
InChIInChI=1S/C23H24ClN5O5/c1-15(30)25-17-3-5-18(6-4-17)34-13-21(31)26-27-22-19-12-16(24)2-7-20(19)29(23(22)32)14-28-8-10-33-11-9-28/h2-7,12,32H,8-11,13-14H2,1H3,(H,25,30)/b27-26+
InChIKeyMVGPITFMJAHKAY-CYYJNZCTSA-N
MW485.93 g/mol
LogP3.94
Rot. Bonds7

About 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide

2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide (PubChem CID 135537783) has the molecular formula C23H24ClN5O5 and a molecular weight of 485.93 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide
PubChem CID135537783
Molecular FormulaC23H24ClN5O5
Molecular Weight485.93 g/mol
Exact Mass485.15
IUPAC Name2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide
SMILESCC(=O)Nc1ccc(OCC(=O)/N=N/c2c(O)n(CN3CCOCC3)c3ccc(Cl)cc23)cc1
InChIInChI=1S/C23H24ClN5O5/c1-15(30)25-17-3-5-18(6-4-17)34-13-21(31)26-27-22-19-12-16(24)2-7-20(19)29(23(22)32)14-28-8-10-33-11-9-28/h2-7,12,32H,8-11,13-14H2,1H3,(H,25,30)/b27-26+
InChIKeyMVGPITFMJAHKAY-CYYJNZCTSA-N
XLogP3.94
TPSA117.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.93
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide (CID 135537783) is 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide is CC(=O)Nc1ccc(OCC(=O)/N=N/c2c(O)n(CN3CCOCC3)c3ccc(Cl)cc23)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide?
The InChIKey is MVGPITFMJAHKAY-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H24ClN5O5/c1-15(30)25-17-3-5-18(6-4-17)34-13-21(31)26-27-22-19-12-16(24)2-7-20(19)29(23(22)32)14-28-8-10-33-11-9-28/h2-7,12,32H,8-11,13-14H2,1H3,(H,25,30)/b27-26+.
What are the key properties of 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide?
2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide has a molecular weight of 485.93 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide is sourced from PubChem (CID 135537783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).