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

C26H23ClN2O4 — CID 2331369

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1
InChIInChI=1S/C26H23ClN2O4/c1-16-22(15-25(30)28-19-8-10-20(32-2)11-9-19)23-14-21(33-3)12-13-24(23)29(16)26(31)17-4-6-18(27)7-5-17/h4-14H,15H2,1-3H3,(H,28,30)
InChIKeyUVHZSMZRZLPWTM-UHFFFAOYSA-N
MW462.93 g/mol
LogP5.49
Rot. Bonds6

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

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 2331369) has the molecular formula C26H23ClN2O4 and a molecular weight of 462.93 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID2331369
Molecular FormulaC26H23ClN2O4
Molecular Weight462.93 g/mol
Exact Mass462.13
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1
InChIInChI=1S/C26H23ClN2O4/c1-16-22(15-25(30)28-19-8-10-20(32-2)11-9-19)23-14-21(33-3)12-13-24(23)29(16)26(31)17-4-6-18(27)7-5-17/h4-14H,15H2,1-3H3,(H,28,30)
InChIKeyUVHZSMZRZLPWTM-UHFFFAOYSA-N
XLogP5.49
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.93
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methoxyphenyl)acetamide (CID 2331369) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is UVHZSMZRZLPWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O4/c1-16-22(15-25(30)28-19-8-10-20(32-2)11-9-19)23-14-21(33-3)12-13-24(23)29(16)26(31)17-4-6-18(27)7-5-17/h4-14H,15H2,1-3H3,(H,28,30).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methoxyphenyl)acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 462.93 g/mol, XLogP of 5.49, 6 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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2331369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).