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

C27H25ClN2O3 — CID 2352853

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1cc(C)ccc1C)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H25ClN2O3/c1-16-5-6-17(2)24(13-16)29-26(31)15-22-18(3)30(25-12-11-21(33-4)14-23(22)25)27(32)19-7-9-20(28)10-8-19/h5-14H,15H2,1-4H3,(H,29,31)
InChIKeyANRGKJMSWHFGJS-UHFFFAOYSA-N
MW460.96 g/mol
LogP6.10
Rot. Bonds5

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

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 2352853) has the molecular formula C27H25ClN2O3 and a molecular weight of 460.96 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID2352853
Molecular FormulaC27H25ClN2O3
Molecular Weight460.96 g/mol
Exact Mass460.16
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1cc(C)ccc1C)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H25ClN2O3/c1-16-5-6-17(2)24(13-16)29-26(31)15-22-18(3)30(25-12-11-21(33-4)14-23(22)25)27(32)19-7-9-20(28)10-8-19/h5-14H,15H2,1-4H3,(H,29,31)
InChIKeyANRGKJMSWHFGJS-UHFFFAOYSA-N
XLogP6.10
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.96
LogP ≤ 56.10
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-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,5-dimethylphenyl)acetamide (CID 2352853) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,5-dimethylphenyl)acetamide is COc1ccc2c(c1)c(CC(=O)Nc1cc(C)ccc1C)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is ANRGKJMSWHFGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN2O3/c1-16-5-6-17(2)24(13-16)29-26(31)15-22-18(3)30(25-12-11-21(33-4)14-23(22)25)27(32)19-7-9-20(28)10-8-19/h5-14H,15H2,1-4H3,(H,29,31).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,5-dimethylphenyl)acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 460.96 g/mol, XLogP of 6.10, 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-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 2352853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).