2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide

C18H16ClN3O3 — CID 135674715

IUPAC2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide
SMILESCCn1c(O)c(/N=N/C(=O)COc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C18H16ClN3O3/c1-2-22-14-9-5-3-7-12(14)17(18(22)24)21-20-16(23)11-25-15-10-6-4-8-13(15)19/h3-10,24H,2,11H2,1H3/b21-20+
InChIKeyOCEIAKNFYDCCHW-QZQOTICOSA-N
MW357.80 g/mol
LogP4.71
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide

2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide (PubChem CID 135674715) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide
PubChem CID135674715
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide
SMILESCCn1c(O)c(/N=N/C(=O)COc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C18H16ClN3O3/c1-2-22-14-9-5-3-7-12(14)17(18(22)24)21-20-16(23)11-25-15-10-6-4-8-13(15)19/h3-10,24H,2,11H2,1H3/b21-20+
InChIKeyOCEIAKNFYDCCHW-QZQOTICOSA-N
XLogP4.71
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide (CID 135674715) is 2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide is CCn1c(O)c(/N=N/C(=O)COc2ccccc2Cl)c2ccccc21.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide?
The InChIKey is OCEIAKNFYDCCHW-QZQOTICOSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-2-22-14-9-5-3-7-12(14)17(18(22)24)21-20-16(23)11-25-15-10-6-4-8-13(15)19/h3-10,24H,2,11H2,1H3/b21-20+.
What are the key properties of 2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide?
2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide has a molecular weight of 357.80 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide is sourced from PubChem (CID 135674715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).