2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide

C28H27ClN2O4 — CID 2295188

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCCOc1ccccc1C)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H27ClN2O4/c1-18-6-4-5-7-26(18)35-15-14-30-27(32)17-23-19(2)31(25-13-12-22(34-3)16-24(23)25)28(33)20-8-10-21(29)11-9-20/h4-13,16H,14-15,17H2,1-3H3,(H,30,32)
InChIKeyQHWJSUUVYIYFAP-UHFFFAOYSA-N
MW490.99 g/mol
LogP5.35
Rot. Bonds8

About 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide (PubChem CID 2295188) has the molecular formula C28H27ClN2O4 and a molecular weight of 490.99 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide
PubChem CID2295188
Molecular FormulaC28H27ClN2O4
Molecular Weight490.99 g/mol
Exact Mass490.17
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCCOc1ccccc1C)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H27ClN2O4/c1-18-6-4-5-7-26(18)35-15-14-30-27(32)17-23-19(2)31(25-13-12-22(34-3)16-24(23)25)28(33)20-8-10-21(29)11-9-20/h4-13,16H,14-15,17H2,1-3H3,(H,30,32)
InChIKeyQHWJSUUVYIYFAP-UHFFFAOYSA-N
XLogP5.35
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.99
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide (CID 2295188) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide is COc1ccc2c(c1)c(CC(=O)NCCOc1ccccc1C)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide?
The InChIKey is QHWJSUUVYIYFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN2O4/c1-18-6-4-5-7-26(18)35-15-14-30-27(32)17-23-19(2)31(25-13-12-22(34-3)16-24(23)25)28(33)20-8-10-21(29)11-9-20/h4-13,16H,14-15,17H2,1-3H3,(H,30,32).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide has a molecular weight of 490.99 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(2-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 2295188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).