2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide

C18H15FN2O4 — CID 796065

IUPAC2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C18H15FN2O4/c19-12-7-5-11(6-8-12)15(22)9-18(25)13-3-1-2-4-14(13)21(17(18)24)10-16(20)23/h1-8,25H,9-10H2,(H2,20,23)/t18-/m0/s1
InChIKeyJYMUCFHRJJFIRU-SFHVURJKSA-N
MW342.33 g/mol
LogP1.12
Rot. Bonds5

About 2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide

2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide (PubChem CID 796065) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide
PubChem CID796065
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C18H15FN2O4/c19-12-7-5-11(6-8-12)15(22)9-18(25)13-3-1-2-4-14(13)21(17(18)24)10-16(20)23/h1-8,25H,9-10H2,(H2,20,23)/t18-/m0/s1
InChIKeyJYMUCFHRJJFIRU-SFHVURJKSA-N
XLogP1.12
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide
CID 2925295
2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide
CID 1075392
(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 791129
3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 2883376
1-[(3-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 3442140
2-[(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 1289823
ethyl 2-[3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate
CID 2930270
(3S)-1-ethyl-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]indol-2-one
CID 1322722
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468
methyl 2-[(3S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate
CID 2189265
1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 3708418
methyl 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate
CID 5309462

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide?
The IUPAC name of 2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide (CID 796065) is 2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide is NC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide?
The InChIKey is JYMUCFHRJJFIRU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15FN2O4/c19-12-7-5-11(6-8-12)15(22)9-18(25)13-3-1-2-4-14(13)21(17(18)24)10-16(20)23/h1-8,25H,9-10H2,(H2,20,23)/t18-/m0/s1.
What are the key properties of 2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide?
2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide has a molecular weight of 342.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide is sourced from PubChem (CID 796065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).