N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide

C25H23FN2O3 — CID 95095383

IUPACN-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1C(=O)[C@](O)(c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C25H23FN2O3/c1-2-27(16-18-9-4-3-5-10-18)23(29)17-28-22-14-7-6-13-21(22)25(31,24(28)30)19-11-8-12-20(26)15-19/h3-15,31H,2,16-17H2,1H3/t25-/m0/s1
InChIKeyQAROJBIZLTWKPF-VWLOTQADSA-N
MW418.47 g/mol
LogP3.46
Rot. Bonds6

About N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide

N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide (PubChem CID 95095383) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
PubChem CID95095383
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC NameN-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1C(=O)[C@](O)(c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C25H23FN2O3/c1-2-27(16-18-9-4-3-5-10-18)23(29)17-28-22-14-7-6-13-21(22)25(31,24(28)30)19-11-8-12-20(26)15-19/h3-15,31H,2,16-17H2,1H3/t25-/m0/s1
InChIKeyQAROJBIZLTWKPF-VWLOTQADSA-N
XLogP3.46
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
CID 95095514
N-(2,6-dimethylphenyl)-2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 53144194
N-benzyl-N-ethyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18099217
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9072690
methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate
CID 95095338
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46653313
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 18201411
(3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one
CID 95095417
(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one
CID 95095311
N-(4-ethylphenyl)-2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)acetamide
CID 53144238
N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide
CID 122245031
N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 95917512

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide (CID 95095383) is N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide is CCN(Cc1ccccc1)C(=O)CN1C(=O)[C@](O)(c2cccc(F)c2)c2ccccc21.
What is the InChIKey of N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide?
The InChIKey is QAROJBIZLTWKPF-VWLOTQADSA-N. The full InChI is InChI=1S/C25H23FN2O3/c1-2-27(16-18-9-4-3-5-10-18)23(29)17-28-22-14-7-6-13-21(22)25(31,24(28)30)19-11-8-12-20(26)15-19/h3-15,31H,2,16-17H2,1H3/t25-/m0/s1.
What are the key properties of N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide?
N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide has a molecular weight of 418.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide is sourced from PubChem (CID 95095383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).