2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide

C21H23FN2O2 — CID 137441290

IUPAC2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide
SMILESCC(C(=O)N[C@@H]1Cc2ccccc2[C@H]1N1CC(O)C1)c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c1-13(14-6-8-16(22)9-7-14)21(26)23-19-10-15-4-2-3-5-18(15)20(19)24-11-17(25)12-24/h2-9,13,17,19-20,25H,10-12H2,1H3,(H,23,26)/t13?,19-,20-/m1/s1
InChIKeyAAOLVFLNHLWFQD-MJDRAIRUSA-N
MW354.43 g/mol
LogP2.39
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide

2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide (PubChem CID 137441290) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide
PubChem CID137441290
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide
SMILESCC(C(=O)N[C@@H]1Cc2ccccc2[C@H]1N1CC(O)C1)c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c1-13(14-6-8-16(22)9-7-14)21(26)23-19-10-15-4-2-3-5-18(15)20(19)24-11-17(25)12-24/h2-9,13,17,19-20,25H,10-12H2,1H3,(H,23,26)/t13?,19-,20-/m1/s1
InChIKeyAAOLVFLNHLWFQD-MJDRAIRUSA-N
XLogP2.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1S,2S)-1-(2,2-difluoroethylamino)-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide
CID 137441352
2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride
CID 137441281
(2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide
CID 18646616
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
[(1S,2S)-2-[[(2S)-2-(4-fluorophenyl)butanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 130277303
[(1S,2S)-2-[2-(4-fluorophenyl)butanoylamino]-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 137441238
tert-butyl N-[(2R)-2-[[(2S)-2-phenylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292738
(2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide
CID 130277790
tert-butyl N-[(2S)-2-[[2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292960
(2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide
CID 130277360
(2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide
CID 130277842
[(1S,2S)-2-[[2-cyclopropyl-2-(4-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 137441284

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide (CID 137441290) is 2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide is CC(C(=O)N[C@@H]1Cc2ccccc2[C@H]1N1CC(O)C1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide?
The InChIKey is AAOLVFLNHLWFQD-MJDRAIRUSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-13(14-6-8-16(22)9-7-14)21(26)23-19-10-15-4-2-3-5-18(15)20(19)24-11-17(25)12-24/h2-9,13,17,19-20,25H,10-12H2,1H3,(H,23,26)/t13?,19-,20-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide?
2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide has a molecular weight of 354.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide is sourced from PubChem (CID 137441290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).