2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide

C20H18ClN3O3 — CID 59430591

IUPAC2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide
SMILESCCn1c(-c2ccc(O)c(NC(=O)CCl)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C20H18ClN3O3/c1-3-24-17-9-13(27-2)5-6-14(17)15(11-22)20(24)12-4-7-18(25)16(8-12)23-19(26)10-21/h4-9,25H,3,10H2,1-2H3,(H,23,26)
InChIKeyVXMMUUHUCJCJJX-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.09
Rot. Bonds5

About 2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide

2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide (PubChem CID 59430591) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide
PubChem CID59430591
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide
SMILESCCn1c(-c2ccc(O)c(NC(=O)CCl)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C20H18ClN3O3/c1-3-24-17-9-13(27-2)5-6-14(17)15(11-22)20(24)12-4-7-18(25)16(8-12)23-19(26)10-21/h4-9,25H,3,10H2,1-2H3,(H,23,26)
InChIKeyVXMMUUHUCJCJJX-UHFFFAOYSA-N
XLogP4.09
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide 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-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide?
The IUPAC name of 2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide (CID 59430591) is 2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide is CCn1c(-c2ccc(O)c(NC(=O)CCl)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide?
The InChIKey is VXMMUUHUCJCJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-3-24-17-9-13(27-2)5-6-14(17)15(11-22)20(24)12-4-7-18(25)16(8-12)23-19(26)10-21/h4-9,25H,3,10H2,1-2H3,(H,23,26).
What are the key properties of 2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide?
2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide has a molecular weight of 383.84 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-hydroxyphenyl]acetamide is sourced from PubChem (CID 59430591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).