2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide

C19H19ClN2O2 — CID 111441170

IUPAC2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1C(O)CNC(=O)Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN2O2/c1-12-4-2-3-5-15(12)18(23)11-22-19(24)8-13-10-21-17-7-6-14(20)9-16(13)17/h2-7,9-10,18,21,23H,8,11H2,1H3,(H,22,24)
InChIKeyZXOZQUVWMRAMHJ-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.52
Rot. Bonds5

About 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide

2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide (PubChem CID 111441170) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide
PubChem CID111441170
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1C(O)CNC(=O)Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN2O2/c1-12-4-2-3-5-15(12)18(23)11-22-19(24)8-13-10-21-17-7-6-14(20)9-16(13)17/h2-7,9-10,18,21,23H,8,11H2,1H3,(H,22,24)
InChIKeyZXOZQUVWMRAMHJ-UHFFFAOYSA-N
XLogP3.52
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
2-(5-chloro-1H-indol-3-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 111697345
2-(5-chloro-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 110621183
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
CID 110630730
2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide
CID 110611810
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
2-(5-chloro-1H-indol-3-yl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 110625376
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide
CID 58842077
5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide
CID 111120000
2-(5-chloro-1H-indol-3-yl)-N-(2-ethoxyphenyl)acetamide
CID 110422156

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide (CID 111441170) is 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1C(O)CNC(=O)Cc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide?
The InChIKey is ZXOZQUVWMRAMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12-4-2-3-5-15(12)18(23)11-22-19(24)8-13-10-21-17-7-6-14(20)9-16(13)17/h2-7,9-10,18,21,23H,8,11H2,1H3,(H,22,24).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide?
2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide has a molecular weight of 342.83 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 111441170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).