2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide

C18H17ClN2O2 — CID 110908781

IUPAC2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1ccc2ccc(Cl)cc21)NCc1ccccc1CO
InChIInChI=1S/C18H17ClN2O2/c19-16-6-5-13-7-8-21(17(13)9-16)11-18(23)20-10-14-3-1-2-4-15(14)12-22/h1-9,22H,10-12H2,(H,20,23)
InChIKeyMFHBKXICWXFGRU-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.10
Rot. Bonds5

About 2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide

2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide (PubChem CID 110908781) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
PubChem CID110908781
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1ccc2ccc(Cl)cc21)NCc1ccccc1CO
InChIInChI=1S/C18H17ClN2O2/c19-16-6-5-13-7-8-21(17(13)9-16)11-18(23)20-10-14-3-1-2-4-15(14)12-22/h1-9,22H,10-12H2,(H,20,23)
InChIKeyMFHBKXICWXFGRU-UHFFFAOYSA-N
XLogP3.10
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55997984
2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86950555
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-chloro-4-oxoquinolin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 100734816
3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 51091479
2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide
CID 166184378
N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
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-methylphenyl)acetamide
CID 115590570

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide (CID 110908781) is 2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide is O=C(Cn1ccc2ccc(Cl)cc21)NCc1ccccc1CO.
What is the InChIKey of 2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide?
The InChIKey is MFHBKXICWXFGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-16-6-5-13-7-8-21(17(13)9-16)11-18(23)20-10-14-3-1-2-4-15(14)12-22/h1-9,22H,10-12H2,(H,20,23).
What are the key properties of 2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide?
2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide has a molecular weight of 328.80 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 110908781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).