3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide

C15H19F2N3O — CID 123815866

IUPAC3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESNC(CC(=O)NC1CNC1)C1CCc2cc(F)c(F)cc21
InChIInChI=1S/C15H19F2N3O/c16-12-3-8-1-2-10(11(8)4-13(12)17)14(18)5-15(21)20-9-6-19-7-9/h3-4,9-10,14,19H,1-2,5-7,18H2,(H,20,21)
InChIKeyNGIILGUNYBYQFN-UHFFFAOYSA-N
MW295.33 g/mol
LogP0.80
Rot. Bonds4

About 3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide

3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide (PubChem CID 123815866) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide
PubChem CID123815866
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESNC(CC(=O)NC1CNC1)C1CCc2cc(F)c(F)cc21
InChIInChI=1S/C15H19F2N3O/c16-12-3-8-1-2-10(11(8)4-13(12)17)14(18)5-15(21)20-9-6-19-7-9/h3-4,9-10,14,19H,1-2,5-7,18H2,(H,20,21)
InChIKeyNGIILGUNYBYQFN-UHFFFAOYSA-N
XLogP0.80
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-aminoazetidin-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one
CID 123796248
3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 123767879
1-(3a,7a-dihydroindol-1-yl)-3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one
CID 123991646
3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one
CID 123624545
1-[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]-4-oxopyrrolidine-2-carboxamide
CID 123570125
3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 123942977
N-[[(2S)-1-[(3S)-3-amino-3-[(1S)-5,6-difluoro-2,3-dihydro-1H-inden-1-yl]propanoyl]pyrrolidin-2-yl]methyl]-5-(azetidin-1-ylsulfonyl)-2,4-difluorobenzamide
CID 171356345
3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxyazetidin-1-yl)butan-1-one
CID 123803790
3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
CID 119745353
2-[5-[4-[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]piperazine-1-carbonyl]-4-chloro-2-fluorophenyl]-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
CID 123438778
4-amino-4-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-(1,6,7-trimethylpyrazolo[4,5-c]pyridazin-3-yl)butan-2-ol
CID 123946504
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119745334

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide?
The IUPAC name of 3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide (CID 123815866) is 3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide.
What is the SMILES notation for 3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide?
The canonical SMILES for 3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide is NC(CC(=O)NC1CNC1)C1CCc2cc(F)c(F)cc21.
What is the InChIKey of 3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide?
The InChIKey is NGIILGUNYBYQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c16-12-3-8-1-2-10(11(8)4-13(12)17)14(18)5-15(21)20-9-6-19-7-9/h3-4,9-10,14,19H,1-2,5-7,18H2,(H,20,21).
What are the key properties of 3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide?
3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide has a molecular weight of 295.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(azetidin-3-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanamide is sourced from PubChem (CID 123815866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).