2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone

C16H16N2O — CID 20930646

IUPAC2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone
SMILESNC(C(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H16N2O/c17-15(13-7-2-1-3-8-13)16(19)18-11-10-12-6-4-5-9-14(12)18/h1-9,15H,10-11,17H2
InChIKeyDEFDJWJYYWKOBO-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.28
Rot. Bonds2

About 2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone

2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone (PubChem CID 20930646) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone
PubChem CID20930646
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone
SMILESNC(C(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H16N2O/c17-15(13-7-2-1-3-8-13)16(19)18-11-10-12-6-4-5-9-14(12)18/h1-9,15H,10-11,17H2
InChIKeyDEFDJWJYYWKOBO-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one
CID 135054054
benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium
CID 9105990
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137
(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone
CID 124605958
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] benzoate
CID 2661512
(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897098
2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 18275650
1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
CID 110417579
2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride
CID 120669812
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone?
The IUPAC name of 2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone (CID 20930646) is 2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone.
What is the SMILES notation for 2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone?
The canonical SMILES for 2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone is NC(C(=O)N1CCc2ccccc21)c1ccccc1.
What is the InChIKey of 2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone?
The InChIKey is DEFDJWJYYWKOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-15(13-7-2-1-3-8-13)16(19)18-11-10-12-6-4-5-9-14(12)18/h1-9,15H,10-11,17H2.
What are the key properties of 2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone?
2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone has a molecular weight of 252.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone is sourced from PubChem (CID 20930646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).