2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide

C18H17ClN2O2 — CID 39336499

IUPAC2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide
SMILESO=C(Cn1ccc2cc(Cl)ccc21)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c19-15-6-7-16-14(10-15)8-9-21(16)12-18(23)20-11-17(22)13-4-2-1-3-5-13/h1-10,17,22H,11-12H2,(H,20,23)/t17-/m1/s1
InChIKeyHSWCDEAYTAUJBE-QGZVFWFLSA-N
MW328.80 g/mol
LogP3.14
Rot. Bonds5

About 2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide

2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide (PubChem CID 39336499) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide
PubChem CID39336499
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide
SMILESO=C(Cn1ccc2cc(Cl)ccc21)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c19-15-6-7-16-14(10-15)8-9-21(16)12-18(23)20-11-17(22)13-4-2-1-3-5-13/h1-10,17,22H,11-12H2,(H,20,23)/t17-/m1/s1
InChIKeyHSWCDEAYTAUJBE-QGZVFWFLSA-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-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 42655004
2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide
CID 39349235
2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371268
2-[[2-(5-chloroindol-1-yl)acetyl]amino]propanoic acid
CID 53368015
N-carbamoyl-2-(5-chloroindol-1-yl)acetamide
CID 116623133
2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39351923
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide
CID 111120024
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 111427460
2-(5-aminoindol-1-yl)-N-benzylacetamide
CID 43342948
2-(5-chloroindol-1-yl)-N-pyridin-3-ylacetamide
CID 39341577
2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 43498535
2-(5-chloroindol-1-yl)-1-(furan-2-yl)ethanone
CID 63877831

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide?
The IUPAC name of 2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide (CID 39336499) is 2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide?
The canonical SMILES for 2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide is O=C(Cn1ccc2cc(Cl)ccc21)NC[C@@H](O)c1ccccc1.
What is the InChIKey of 2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide?
The InChIKey is HSWCDEAYTAUJBE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-15-6-7-16-14(10-15)8-9-21(16)12-18(23)20-11-17(22)13-4-2-1-3-5-13/h1-10,17,22H,11-12H2,(H,20,23)/t17-/m1/s1.
What are the key properties of 2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide?
2-(5-chloroindol-1-yl)-N-[(2S)-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-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide is sourced from PubChem (CID 39336499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).