2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide

C19H19FN2O3 — CID 97414037

IUPAC2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
SMILESCn1cc([C@H](O)CNC(=O)COc2ccccc2F)c2ccccc21
InChIInChI=1S/C19H19FN2O3/c1-22-11-14(13-6-2-4-8-16(13)22)17(23)10-21-19(24)12-25-18-9-5-3-7-15(18)20/h2-9,11,17,23H,10,12H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyWKBPEKDCNNRJAJ-QGZVFWFLSA-N
MW342.37 g/mol
LogP2.55
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide

2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide (PubChem CID 97414037) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
PubChem CID97414037
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
SMILESCn1cc([C@H](O)CNC(=O)COc2ccccc2F)c2ccccc21
InChIInChI=1S/C19H19FN2O3/c1-22-11-14(13-6-2-4-8-16(13)22)17(23)10-21-19(24)12-25-18-9-5-3-7-15(18)20/h2-9,11,17,23H,10,12H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyWKBPEKDCNNRJAJ-QGZVFWFLSA-N
XLogP2.55
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide
CID 86264357
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide
CID 110663511
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414049
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide
CID 97414057
2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide
CID 86266717
2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 111566012
2-(2-fluorophenoxy)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 90597980
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 90535057
N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 71788710
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 63299007
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 71788673

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide (CID 97414037) is 2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide is Cn1cc([C@H](O)CNC(=O)COc2ccccc2F)c2ccccc21.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide?
The InChIKey is WKBPEKDCNNRJAJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-22-11-14(13-6-2-4-8-16(13)22)17(23)10-21-19(24)12-25-18-9-5-3-7-15(18)20/h2-9,11,17,23H,10,12H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of 2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide?
2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide has a molecular weight of 342.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide is sourced from PubChem (CID 97414037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).