2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide

C15H19ClN2O — CID 47365850

IUPAC2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C15H19ClN2O/c1-3-13(4-2)17-15(19)10-18-8-7-11-5-6-12(16)9-14(11)18/h5-9,13H,3-4,10H2,1-2H3,(H,17,19)
InChIKeyLOMCDROFDUQWDA-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.60
Rot. Bonds5

About 2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide

2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide (PubChem CID 47365850) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
PubChem CID47365850
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C15H19ClN2O/c1-3-13(4-2)17-15(19)10-18-8-7-11-5-6-12(16)9-14(11)18/h5-9,13H,3-4,10H2,1-2H3,(H,17,19)
InChIKeyLOMCDROFDUQWDA-UHFFFAOYSA-N
XLogP3.60
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide
CID 56798550
2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 115590570
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide
CID 43308924
2-[[2-(5-chloroindol-1-yl)acetyl]amino]propanoic acid
CID 53368015
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 51091479
2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 71887573
2-(6-chloroindol-1-yl)-N-cyclohexylacetamide
CID 115590568
2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 42655004
2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide
CID 116620187
2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86950555

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide (CID 47365850) is 2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1ccc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide?
The InChIKey is LOMCDROFDUQWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-3-13(4-2)17-15(19)10-18-8-7-11-5-6-12(16)9-14(11)18/h5-9,13H,3-4,10H2,1-2H3,(H,17,19).
What are the key properties of 2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide?
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide has a molecular weight of 278.78 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 47365850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).