2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide

C20H24FNO2 — CID 134917699

IUPAC2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C(C)(F)Cc1ccccc1
InChIInChI=1S/C20H24FNO2/c1-15(18(23)17-12-8-5-9-13-17)22(3)19(24)20(2,21)14-16-10-6-4-7-11-16/h4-13,15,18,23H,14H2,1-3H3/t15-,18+,20?/m0/s1
InChIKeyFYVFPIBJFGJWSG-CMNDMHKISA-N
MW329.42 g/mol
LogP3.54
Rot. Bonds6

About 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide

2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide (PubChem CID 134917699) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
PubChem CID134917699
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C(C)(F)Cc1ccccc1
InChIInChI=1S/C20H24FNO2/c1-15(18(23)17-12-8-5-9-13-17)22(3)19(24)20(2,21)14-16-10-6-4-7-11-16/h4-13,15,18,23H,14H2,1-3H3/t15-,18+,20?/m0/s1
InChIKeyFYVFPIBJFGJWSG-CMNDMHKISA-N
XLogP3.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(+/-)-Clausenamide
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Secoclausenamide
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N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
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D-erythro-MAPP
CID 124735
1-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 10381919
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]dodecanamide
CID 11046702
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
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N-(2-Hydroxy-1-methyl-2-phenylethyl)-N-methylacetamide
CID 27869

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
The IUPAC name of 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide (CID 134917699) is 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide is C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C(C)(F)Cc1ccccc1.
What is the InChIKey of 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
The InChIKey is FYVFPIBJFGJWSG-CMNDMHKISA-N. The full InChI is InChI=1S/C20H24FNO2/c1-15(18(23)17-12-8-5-9-13-17)22(3)19(24)20(2,21)14-16-10-6-4-7-11-16/h4-13,15,18,23H,14H2,1-3H3/t15-,18+,20?/m0/s1.
What are the key properties of 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide has a molecular weight of 329.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 134917699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).