2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide

C26H23ClN2O4 — CID 45266983

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCCc1ccc(O)cc1)cn2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H23ClN2O4/c1-33-22-10-11-24-23(15-22)19(16-29(24)26(32)18-4-6-20(27)7-5-18)14-25(31)28-13-12-17-2-8-21(30)9-3-17/h2-11,15-16,30H,12-14H2,1H3,(H,28,31)
InChIKeyIFDJTDWRBBLISL-UHFFFAOYSA-N
MW462.93 g/mol
LogP4.60
Rot. Bonds7

About 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide

2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide (PubChem CID 45266983) has the molecular formula C26H23ClN2O4 and a molecular weight of 462.93 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
PubChem CID45266983
Molecular FormulaC26H23ClN2O4
Molecular Weight462.93 g/mol
Exact Mass462.13
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCCc1ccc(O)cc1)cn2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H23ClN2O4/c1-33-22-10-11-24-23(15-22)19(16-29(24)26(32)18-4-6-20(27)7-5-18)14-25(31)28-13-12-17-2-8-21(30)9-3-17/h2-11,15-16,30H,12-14H2,1H3,(H,28,31)
InChIKeyIFDJTDWRBBLISL-UHFFFAOYSA-N
XLogP4.60
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide (CID 45266983) is 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide is COc1ccc2c(c1)c(CC(=O)NCCc1ccc(O)cc1)cn2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The InChIKey is IFDJTDWRBBLISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O4/c1-33-22-10-11-24-23(15-22)19(16-29(24)26(32)18-4-6-20(27)7-5-18)14-25(31)28-13-12-17-2-8-21(30)9-3-17/h2-11,15-16,30H,12-14H2,1H3,(H,28,31).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide has a molecular weight of 462.93 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 45266983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).