(2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide

C18H22FNO2 — CID 102115212

IUPAC(2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide
SMILESCCN(CC)C(=O)[C@](C)(F)[C@@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22FNO2/c1-4-20(5-2)17(22)18(3,19)16(21)15-11-10-13-8-6-7-9-14(13)12-15/h6-12,16,21H,4-5H2,1-3H3/t16-,18+/m0/s1
InChIKeyCPGXUETWDBJMTD-FUHWJXTLSA-N
MW303.38 g/mol
LogP3.47
Rot. Bonds5

About (2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide

(2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide (PubChem CID 102115212) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is (2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide
PubChem CID102115212
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name(2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide
SMILESCCN(CC)C(=O)[C@](C)(F)[C@@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22FNO2/c1-4-20(5-2)17(22)18(3,19)16(21)15-11-10-13-8-6-7-9-14(13)12-15/h6-12,16,21H,4-5H2,1-3H3/t16-,18+/m0/s1
InChIKeyCPGXUETWDBJMTD-FUHWJXTLSA-N
XLogP3.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol
CID 79061565
(3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 134948100
2-methoxy-2-methyl-1-naphthalen-2-ylpropan-1-ol
CID 79196831
3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol
CID 55115850
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol
CID 150329272
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
CID 64565521
2-naphthalen-2-ylbutanoic acid
CID 27266
ethyl (3R)-3-amino-2,2-difluoro-3-naphthalen-2-ylpropanoate;hydrochloride
CID 171240057
1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol
CID 69330267
2-[(2-tert-butylsulfanylacetyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543464

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide?
The IUPAC name of (2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide (CID 102115212) is (2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide?
The canonical SMILES for (2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide is CCN(CC)C(=O)[C@](C)(F)[C@@H](O)c1ccc2ccccc2c1.
What is the InChIKey of (2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide?
The InChIKey is CPGXUETWDBJMTD-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-4-20(5-2)17(22)18(3,19)16(21)15-11-10-13-8-6-7-9-14(13)12-15/h6-12,16,21H,4-5H2,1-3H3/t16-,18+/m0/s1.
What are the key properties of (2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide?
(2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide has a molecular weight of 303.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 102115212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).