2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide

C12H14FN3O2 — CID 104872444

IUPAC2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H14FN3O2/c13-9-2-1-8-3-4-16(10(8)5-9)12(18)7-15-11(17)6-14/h1-2,5H,3-4,6-7,14H2,(H,15,17)
InChIKeyFFZSTVGVAHILHI-UHFFFAOYSA-N
MW251.26 g/mol
LogP-0.21
Rot. Bonds3

About 2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide

2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide (PubChem CID 104872444) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
PubChem CID104872444
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H14FN3O2/c13-9-2-1-8-3-4-16(10(8)5-9)12(18)7-15-11(17)6-14/h1-2,5H,3-4,6-7,14H2,(H,15,17)
InChIKeyFFZSTVGVAHILHI-UHFFFAOYSA-N
XLogP-0.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide
CID 103495606
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
2-[2-(aminomethyl)phenyl]-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103495285
1-(6-fluoro-2,3-dihydroindol-1-yl)-3,4,4-trimethylpentan-1-one
CID 86901344
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one
CID 126779263
6-amino-4-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)hexan-1-one
CID 103495276
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 29406171
2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 136513866
5-(6-fluoro-2,3-dihydroindol-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 103494270
2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103493820

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide (CID 104872444) is 2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide is NCC(=O)NCC(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of 2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
The InChIKey is FFZSTVGVAHILHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-9-2-1-8-3-4-16(10(8)5-9)12(18)7-15-11(17)6-14/h1-2,5H,3-4,6-7,14H2,(H,15,17).
What are the key properties of 2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide has a molecular weight of 251.26 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 104872444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).