3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide

C14H17F2NO2 — CID 124883091

IUPAC3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)N[C@@H]1Cc2ccccc2[C@H]1O)C(F)F
InChIInChI=1S/C14H17F2NO2/c1-14(2,12(15)16)13(19)17-10-7-8-5-3-4-6-9(8)11(10)18/h3-6,10-12,18H,7H2,1-2H3,(H,17,19)/t10-,11-/m1/s1
InChIKeyBYVKPQPYLFMWEA-GHMZBOCLSA-N
MW269.29 g/mol
LogP2.05
Rot. Bonds3

About 3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide

3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide (PubChem CID 124883091) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide
PubChem CID124883091
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)N[C@@H]1Cc2ccccc2[C@H]1O)C(F)F
InChIInChI=1S/C14H17F2NO2/c1-14(2,12(15)16)13(19)17-10-7-8-5-3-4-6-9(8)11(10)18/h3-6,10-12,18H,7H2,1-2H3,(H,17,19)/t10-,11-/m1/s1
InChIKeyBYVKPQPYLFMWEA-GHMZBOCLSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150
N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide
CID 124742204
N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide
CID 71053168
N-[4-[[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823688
N-[4-[[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823686
N-[4-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823685
N-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(4-methoxyphenyl)acetamide
CID 71913320
N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide
CID 97063534
1-[5-tert-butyl-2-methoxy-3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-3-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)urea
CID 77410935
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11665946
2-amino-3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide
CID 107222211
2-amino-3,3,3-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide
CID 107221790

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide (CID 124883091) is 3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide is CC(C)(C(=O)N[C@@H]1Cc2ccccc2[C@H]1O)C(F)F.
What is the InChIKey of 3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide?
The InChIKey is BYVKPQPYLFMWEA-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-14(2,12(15)16)13(19)17-10-7-8-5-3-4-6-9(8)11(10)18/h3-6,10-12,18H,7H2,1-2H3,(H,17,19)/t10-,11-/m1/s1.
What are the key properties of 3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide?
3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide has a molecular weight of 269.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 124883091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).