2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide

C19H21FN2O3 — CID 90582198

IUPAC2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
SMILESCN1CCc2cc(C(O)CNC(=O)COc3ccc(F)cc3)ccc21
InChIInChI=1S/C19H21FN2O3/c1-22-9-8-13-10-14(2-7-17(13)22)18(23)11-21-19(24)12-25-16-5-3-15(20)4-6-16/h2-7,10,18,23H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyPAHDHQNCMRJGQM-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.05
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide

2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide (PubChem CID 90582198) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
PubChem CID90582198
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
SMILESCN1CCc2cc(C(O)CNC(=O)COc3ccc(F)cc3)ccc21
InChIInChI=1S/C19H21FN2O3/c1-22-9-8-13-10-14(2-7-17(13)22)18(23)11-21-19(24)12-25-16-5-3-15(20)4-6-16/h2-7,10,18,23H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyPAHDHQNCMRJGQM-UHFFFAOYSA-N
XLogP2.05
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 90582269
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 90582229
2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
CID 129373664
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 90582216
3-(2-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide
CID 129373702
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 40890280
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 90582123
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-phenylpropanamide
CID 90582153
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide
CID 30575756
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide (CID 90582198) is 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide is CN1CCc2cc(C(O)CNC(=O)COc3ccc(F)cc3)ccc21.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide?
The InChIKey is PAHDHQNCMRJGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-22-9-8-13-10-14(2-7-17(13)22)18(23)11-21-19(24)12-25-16-5-3-15(20)4-6-16/h2-7,10,18,23H,8-9,11-12H2,1H3,(H,21,24).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide?
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide is sourced from PubChem (CID 90582198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).