N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

C19H19FN2O3 — CID 110901510

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)NCC(O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C19H19FN2O3/c1-12-11-22(16-9-5-3-6-13(12)16)19(25)18(24)21-10-17(23)14-7-2-4-8-15(14)20/h2-9,12,17,23H,10-11H2,1H3,(H,21,24)
InChIKeyHELZLBHPRVBPCK-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.13
Rot. Bonds3

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 110901510) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID110901510
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)NCC(O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C19H19FN2O3/c1-12-11-22(16-9-5-3-6-13(12)16)19(25)18(24)21-10-17(23)14-7-2-4-8-15(14)20/h2-9,12,17,23H,10-11H2,1H3,(H,21,24)
InChIKeyHELZLBHPRVBPCK-UHFFFAOYSA-N
XLogP2.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 111435771
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111115269
(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 111456305
1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 75403700
N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893729
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
CID 54938683
3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide
CID 78889309
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
CID 95774853
N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893726
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea
CID 52991200

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 110901510) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is CC1CN(C(=O)C(=O)NCC(O)c2ccccc2F)c2ccccc21.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is HELZLBHPRVBPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-12-11-22(16-9-5-3-6-13(12)16)19(25)18(24)21-10-17(23)14-7-2-4-8-15(14)20/h2-9,12,17,23H,10-11H2,1H3,(H,21,24).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 342.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 110901510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).