2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide

C17H17ClN2O2 — CID 86950555

IUPAC2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)Cn2ccc3ccc(Cl)cc32)c(C)o1
InChIInChI=1S/C17H17ClN2O2/c1-11-7-14(12(2)22-11)9-19-17(21)10-20-6-5-13-3-4-15(18)8-16(13)20/h3-8H,9-10H2,1-2H3,(H,19,21)
InChIKeyCLPOJUPCNKYEGA-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.82
Rot. Bonds4

About 2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide

2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide (PubChem CID 86950555) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
PubChem CID86950555
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)Cn2ccc3ccc(Cl)cc32)c(C)o1
InChIInChI=1S/C17H17ClN2O2/c1-11-7-14(12(2)22-11)9-19-17(21)10-20-6-5-13-3-4-15(18)8-16(13)20/h3-8H,9-10H2,1-2H3,(H,19,21)
InChIKeyCLPOJUPCNKYEGA-UHFFFAOYSA-N
XLogP3.82
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110908781
3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 51091479
2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55997984
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 115590570
N-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53032159
2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 42655004
2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39351923
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide
CID 56798550
2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 55997245
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide?
The IUPAC name of 2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide (CID 86950555) is 2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide?
The canonical SMILES for 2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide is Cc1cc(CNC(=O)Cn2ccc3ccc(Cl)cc32)c(C)o1.
What is the InChIKey of 2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide?
The InChIKey is CLPOJUPCNKYEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-7-14(12(2)22-11)9-19-17(21)10-20-6-5-13-3-4-15(18)8-16(13)20/h3-8H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide?
2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide has a molecular weight of 316.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide is sourced from PubChem (CID 86950555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).