2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide

C19H19FN2O2 — CID 124760949

IUPAC2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
SMILESCn1ccc2cc([C@H](O)CNC(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C19H19FN2O2/c1-22-9-8-14-11-15(4-7-17(14)22)18(23)12-21-19(24)10-13-2-5-16(20)6-3-13/h2-9,11,18,23H,10,12H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyROYFZPWHXLSNBL-GOSISDBHSA-N
MW326.37 g/mol
LogP2.71
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide

2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide (PubChem CID 124760949) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
PubChem CID124760949
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
SMILESCn1ccc2cc([C@H](O)CNC(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C19H19FN2O2/c1-22-9-8-14-11-15(4-7-17(14)22)18(23)12-21-19(24)10-13-2-5-16(20)6-3-13/h2-9,11,18,23H,10,12H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyROYFZPWHXLSNBL-GOSISDBHSA-N
XLogP2.71
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 124760857
2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 124843487
4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179729
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide
CID 121179845
methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
CID 91817661
N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide
CID 121179834
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121180011
5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179831
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide
CID 121179738

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide (CID 124760949) is 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide is Cn1ccc2cc([C@H](O)CNC(=O)Cc3ccc(F)cc3)ccc21.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide?
The InChIKey is ROYFZPWHXLSNBL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-22-9-8-14-11-15(4-7-17(14)22)18(23)12-21-19(24)10-13-2-5-16(20)6-3-13/h2-9,11,18,23H,10,12H2,1H3,(H,21,24)/t18-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide?
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide has a molecular weight of 326.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide is sourced from PubChem (CID 124760949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).