(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide

C12H15FN2O — CID 119302149

IUPAC(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESC[C@@H](N)C(=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C12H15FN2O/c1-7(14)12(16)15-11-6-5-8-9(11)3-2-4-10(8)13/h2-4,7,11H,5-6,14H2,1H3,(H,15,16)/t7-,11?/m1/s1
InChIKeyGNMZZQVGJQWRLZ-DKSCNQEISA-N
MW222.26 g/mol
LogP1.28
Rot. Bonds2

About (2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide

(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide (PubChem CID 119302149) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
PubChem CID119302149
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESC[C@@H](N)C(=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C12H15FN2O/c1-7(14)12(16)15-11-6-5-8-9(11)3-2-4-10(8)13/h2-4,7,11H,5-6,14H2,1H3,(H,15,16)/t7-,11?/m1/s1
InChIKeyGNMZZQVGJQWRLZ-DKSCNQEISA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119317459
(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
CID 96538056
2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789561
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 81327848
(2R)-2-amino-N-(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide
CID 120874231
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea
CID 86838302
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 142729745
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975454
N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 95771818
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803
3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide
CID 166285451

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide (CID 119302149) is (2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide is C[C@@H](N)C(=O)NC1CCc2c(F)cccc21.
What is the InChIKey of (2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide?
The InChIKey is GNMZZQVGJQWRLZ-DKSCNQEISA-N. The full InChI is InChI=1S/C12H15FN2O/c1-7(14)12(16)15-11-6-5-8-9(11)3-2-4-10(8)13/h2-4,7,11H,5-6,14H2,1H3,(H,15,16)/t7-,11?/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide?
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide has a molecular weight of 222.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide is sourced from PubChem (CID 119302149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).