2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide

C18H17ClN2O2 — CID 42655004

IUPAC2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
SMILESO=C(Cn1ccc2ccc(Cl)cc21)NCC(O)c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c19-15-7-6-13-8-9-21(16(13)10-15)12-18(23)20-11-17(22)14-4-2-1-3-5-14/h1-10,17,22H,11-12H2,(H,20,23)
InChIKeyLOVOFJFEVPGECL-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.14
Rot. Bonds5

About 2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide

2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide (PubChem CID 42655004) 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-hydroxy-2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
PubChem CID42655004
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
SMILESO=C(Cn1ccc2ccc(Cl)cc21)NCC(O)c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c19-15-7-6-13-8-9-21(16(13)10-15)12-18(23)20-11-17(22)14-4-2-1-3-5-14/h1-10,17,22H,11-12H2,(H,20,23)
InChIKeyLOVOFJFEVPGECL-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide
CID 39336499
2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110908781
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide
CID 39349235
2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide
CID 56798550
2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371268
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
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 111427460
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 115590570
N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide?
The IUPAC name of 2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide (CID 42655004) is 2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide?
The canonical SMILES for 2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide is O=C(Cn1ccc2ccc(Cl)cc21)NCC(O)c1ccccc1.
What is the InChIKey of 2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide?
The InChIKey is LOVOFJFEVPGECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-15-7-6-13-8-9-21(16(13)10-15)12-18(23)20-11-17(22)14-4-2-1-3-5-14/h1-10,17,22H,11-12H2,(H,20,23).
What are the key properties of 2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide?
2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide has a molecular weight of 328.80 g/mol, XLogP of 3.14, 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-hydroxy-2-phenylethyl)acetamide is sourced from PubChem (CID 42655004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).