2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide

C23H26ClN3O4 — CID 4506316

IUPAC2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)COc2ccc(Cl)cc2C)c2cc(OC)ccc21
InChIInChI=1S/C23H26ClN3O4/c1-4-5-6-11-27-19-9-8-17(30-3)13-18(19)22(23(27)29)26-25-21(28)14-31-20-10-7-16(24)12-15(20)2/h7-10,12-13,29H,4-6,11,14H2,1-3H3/b26-25+
InChIKeyIZRFOVVLMWXVQE-OCEACIFDSA-N
MW443.93 g/mol
LogP6.20
Rot. Bonds9

About 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide

2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide (PubChem CID 4506316) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide
PubChem CID4506316
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)COc2ccc(Cl)cc2C)c2cc(OC)ccc21
InChIInChI=1S/C23H26ClN3O4/c1-4-5-6-11-27-19-9-8-17(30-3)13-18(19)22(23(27)29)26-25-21(28)14-31-20-10-7-16(24)12-15(20)2/h7-10,12-13,29H,4-6,11,14H2,1-3H3/b26-25+
InChIKeyIZRFOVVLMWXVQE-OCEACIFDSA-N
XLogP6.20
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.93
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide (CID 4506316) is 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide is CCCCCn1c(O)c(/N=N/C(=O)COc2ccc(Cl)cc2C)c2cc(OC)ccc21.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide?
The InChIKey is IZRFOVVLMWXVQE-OCEACIFDSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-4-5-6-11-27-19-9-8-17(30-3)13-18(19)22(23(27)29)26-25-21(28)14-31-20-10-7-16(24)12-15(20)2/h7-10,12-13,29H,4-6,11,14H2,1-3H3/b26-25+.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide?
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide has a molecular weight of 443.93 g/mol, XLogP of 6.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide is sourced from PubChem (CID 4506316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).