1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one

C16H14F2N2O — CID 18071013

IUPAC1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one
SMILESNC(CN1C(=O)Cc2ccccc21)c1c(F)cccc1F
InChIInChI=1S/C16H14F2N2O/c17-11-5-3-6-12(18)16(11)13(19)9-20-14-7-2-1-4-10(14)8-15(20)21/h1-7,13H,8-9,19H2
InChIKeyPRQVAXXEGOXZNA-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.55
Rot. Bonds3

About 1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one

1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one (PubChem CID 18071013) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one
PubChem CID18071013
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one
SMILESNC(CN1C(=O)Cc2ccccc21)c1c(F)cccc1F
InChIInChI=1S/C16H14F2N2O/c17-11-5-3-6-12(18)16(11)13(19)9-20-14-7-2-1-4-10(14)8-15(20)21/h1-7,13H,8-9,19H2
InChIKeyPRQVAXXEGOXZNA-UHFFFAOYSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methyloxindole
CID 6096
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
N-Ethyloxindole
CID 66135
3-Benzylideneindolin-2-one
CID 1551501
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
5-fluoro-1,3-dihydro-2H-indol-2-one
CID 3731012
1-Phenyloxindole
CID 314787
3-[4-(Dimethylamino)benzylidene]indolin-2-one
CID 5353593
(2S)-N-[2-(5-fluoro-2,3-dihydro-1H-indol-1-yl)ethyl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 11200735
2-(4-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 9997232
2-(2-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 10090773
3-ethyl-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854187

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one?
The IUPAC name of 1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one (CID 18071013) is 1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one.
What is the SMILES notation for 1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one?
The canonical SMILES for 1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one is NC(CN1C(=O)Cc2ccccc21)c1c(F)cccc1F.
What is the InChIKey of 1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one?
The InChIKey is PRQVAXXEGOXZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-11-5-3-6-12(18)16(11)13(19)9-20-14-7-2-1-4-10(14)8-15(20)21/h1-7,13H,8-9,19H2.
What are the key properties of 1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one?
1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one has a molecular weight of 288.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one is sourced from PubChem (CID 18071013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).