2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide

C20H21ClN2O2 — CID 3514289

IUPAC2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C20H21ClN2O2/c1-20(2,25-17-9-7-16(21)8-10-17)19(24)22-12-14-23-13-11-15-5-3-4-6-18(15)23/h3-11,13H,12,14H2,1-2H3,(H,22,24)
InChIKeyREAYDJMFGUMVAG-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.27
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide (PubChem CID 3514289) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide
PubChem CID3514289
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C20H21ClN2O2/c1-20(2,25-17-9-7-16(21)8-10-17)19(24)22-12-14-23-13-11-15-5-3-4-6-18(15)23/h3-11,13H,12,14H2,1-2H3,(H,22,24)
InChIKeyREAYDJMFGUMVAG-UHFFFAOYSA-N
XLogP4.27
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide (CID 3514289) is 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1ccc2ccccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide?
The InChIKey is REAYDJMFGUMVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-20(2,25-17-9-7-16(21)8-10-17)19(24)22-12-14-23-13-11-15-5-3-4-6-18(15)23/h3-11,13H,12,14H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide has a molecular weight of 356.85 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide is sourced from PubChem (CID 3514289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).