2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide

C21H17ClN2O — CID 91242276

IUPAC2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide
SMILESCn1cc(CC(=O)Nc2ccc3ccccc3c2)c2ccc(Cl)cc21
InChIInChI=1S/C21H17ClN2O/c1-24-13-16(19-9-7-17(22)12-20(19)24)11-21(25)23-18-8-6-14-4-2-3-5-15(14)10-18/h2-10,12-13H,11H2,1H3,(H,23,25)
InChIKeyIXDLBDWGTPNPOE-UHFFFAOYSA-N
MW348.83 g/mol
LogP5.17
Rot. Bonds3

About 2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide

2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide (PubChem CID 91242276) has the molecular formula C21H17ClN2O and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide
PubChem CID91242276
Molecular FormulaC21H17ClN2O
Molecular Weight348.83 g/mol
Exact Mass348.10
IUPAC Name2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide
SMILESCn1cc(CC(=O)Nc2ccc3ccccc3c2)c2ccc(Cl)cc21
InChIInChI=1S/C21H17ClN2O/c1-24-13-16(19-9-7-17(22)12-20(19)24)11-21(25)23-18-8-6-14-4-2-3-5-15(14)10-18/h2-10,12-13H,11H2,1H3,(H,23,25)
InChIKeyIXDLBDWGTPNPOE-UHFFFAOYSA-N
XLogP5.17
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide (CID 91242276) is 2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide is Cn1cc(CC(=O)Nc2ccc3ccccc3c2)c2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide?
The InChIKey is IXDLBDWGTPNPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O/c1-24-13-16(19-9-7-17(22)12-20(19)24)11-21(25)23-18-8-6-14-4-2-3-5-15(14)10-18/h2-10,12-13H,11H2,1H3,(H,23,25).
What are the key properties of 2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide?
2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide has a molecular weight of 348.83 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 91242276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).