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

C28H27ClN2O3 — CID 10624367

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)N(C)CCc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H27ClN2O3/c1-19-24(18-27(32)30(2)16-15-20-7-5-4-6-8-20)25-17-23(34-3)13-14-26(25)31(19)28(33)21-9-11-22(29)12-10-21/h4-14,17H,15-16,18H2,1-3H3
InChIKeyJADIYQKOFRIHPW-UHFFFAOYSA-N
MW474.99 g/mol
LogP5.54
Rot. Bonds7

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

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide (PubChem CID 10624367) has the molecular formula C28H27ClN2O3 and a molecular weight of 474.99 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide
PubChem CID10624367
Molecular FormulaC28H27ClN2O3
Molecular Weight474.99 g/mol
Exact Mass474.17
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)N(C)CCc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H27ClN2O3/c1-19-24(18-27(32)30(2)16-15-20-7-5-4-6-8-20)25-17-23(34-3)13-14-26(25)31(19)28(33)21-9-11-22(29)12-10-21/h4-14,17H,15-16,18H2,1-3H3
InChIKeyJADIYQKOFRIHPW-UHFFFAOYSA-N
XLogP5.54
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.99
LogP ≤ 55.54
H-Bond Donors ≤ 50
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-methyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide (CID 10624367) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide is COc1ccc2c(c1)c(CC(=O)N(C)CCc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide?
The InChIKey is JADIYQKOFRIHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN2O3/c1-19-24(18-27(32)30(2)16-15-20-7-5-4-6-8-20)25-17-23(34-3)13-14-26(25)31(19)28(33)21-9-11-22(29)12-10-21/h4-14,17H,15-16,18H2,1-3H3.
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methyl-N-(2-phenylethyl)acetamide has a molecular weight of 474.99 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 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-methyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 10624367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).