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

C19H22FNO2 — CID 15357555

IUPAC(2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@H](F)Cc1ccccc1
InChIInChI=1S/C19H22FNO2/c1-14(18(22)16-11-7-4-8-12-16)21(2)19(23)17(20)13-15-9-5-3-6-10-15/h3-12,14,17-18,22H,13H2,1-2H3/t14-,17+,18+/m0/s1
InChIKeyBHRMCHGKVDCUOT-BMGDILEWSA-N
MW315.39 g/mol
LogP3.15
Rot. Bonds6

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

(2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide (PubChem CID 15357555) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
PubChem CID15357555
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name(2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@H](F)Cc1ccccc1
InChIInChI=1S/C19H22FNO2/c1-14(18(22)16-11-7-4-8-12-16)21(2)19(23)17(20)13-15-9-5-3-6-10-15/h3-12,14,17-18,22H,13H2,1-2H3/t14-,17+,18+/m0/s1
InChIKeyBHRMCHGKVDCUOT-BMGDILEWSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
The IUPAC name of (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide (CID 15357555) is (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide is C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@H](F)Cc1ccccc1.
What is the InChIKey of (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
The InChIKey is BHRMCHGKVDCUOT-BMGDILEWSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-14(18(22)16-11-7-4-8-12-16)21(2)19(23)17(20)13-15-9-5-3-6-10-15/h3-12,14,17-18,22H,13H2,1-2H3/t14-,17+,18+/m0/s1.
What are the key properties of (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
(2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide has a molecular weight of 315.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 15357555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).