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

C26H23ClN2O3 — CID 990853

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1ccc(C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H23ClN2O3/c1-16-4-10-20(11-5-16)28-25(30)15-22-17(2)29(24-13-12-21(32-3)14-23(22)24)26(31)18-6-8-19(27)9-7-18/h4-14H,15H2,1-3H3,(H,28,30)
InChIKeyDFIQQHPBVDNEIJ-UHFFFAOYSA-N
MW446.93 g/mol
LogP5.79
Rot. Bonds5

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

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide (PubChem CID 990853) has the molecular formula C26H23ClN2O3 and a molecular weight of 446.93 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide
PubChem CID990853
Molecular FormulaC26H23ClN2O3
Molecular Weight446.93 g/mol
Exact Mass446.14
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1ccc(C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H23ClN2O3/c1-16-4-10-20(11-5-16)28-25(30)15-22-17(2)29(24-13-12-21(32-3)14-23(22)24)26(31)18-6-8-19(27)9-7-18/h4-14H,15H2,1-3H3,(H,28,30)
InChIKeyDFIQQHPBVDNEIJ-UHFFFAOYSA-N
XLogP5.79
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-methylphenyl)acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide (CID 990853) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide is COc1ccc2c(c1)c(CC(=O)Nc1ccc(C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is DFIQQHPBVDNEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O3/c1-16-4-10-20(11-5-16)28-25(30)15-22-17(2)29(24-13-12-21(32-3)14-23(22)24)26(31)18-6-8-19(27)9-7-18/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-methylphenyl)acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 446.93 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 990853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).