5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide

C19H19ClN2O2 — CID 155546222

IUPAC5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide
SMILESCOCC(NC(=O)c1cc2cc(Cl)ccc2n1C)c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-22-17-9-8-15(20)10-14(17)11-18(22)19(23)21-16(12-24-2)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H,21,23)
InChIKeyHNDYCXUNTDDGPW-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.95
Rot. Bonds5

About 5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide

5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide (PubChem CID 155546222) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide
PubChem CID155546222
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide
SMILESCOCC(NC(=O)c1cc2cc(Cl)ccc2n1C)c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-22-17-9-8-15(20)10-14(17)11-18(22)19(23)21-16(12-24-2)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H,21,23)
InChIKeyHNDYCXUNTDDGPW-UHFFFAOYSA-N
XLogP3.95
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide (CID 155546222) is 5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide is COCC(NC(=O)c1cc2cc(Cl)ccc2n1C)c1ccccc1.
What is the InChIKey of 5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide?
The InChIKey is HNDYCXUNTDDGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-22-17-9-8-15(20)10-14(17)11-18(22)19(23)21-16(12-24-2)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H,21,23).
What are the key properties of 5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide?
5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxy-1-phenylethyl)-1-methylindole-2-carboxamide is sourced from PubChem (CID 155546222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).