N-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide

C21H21F2NO2 — CID 50962025

IUPACN-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](/C=C/c2ccccc2)O[C@@H](c2cc(F)cc(F)c2)C1
InChIInChI=1S/C21H21F2NO2/c1-14(25)24-19-12-20(8-7-15-5-3-2-4-6-15)26-21(13-19)16-9-17(22)11-18(23)10-16/h2-11,19-21H,12-13H2,1H3,(H,24,25)/b8-7+/t19-,20+,21+/m0/s1
InChIKeyDLGQFQPXQBFWSG-NXBXPITISA-N
MW357.40 g/mol
LogP4.40
Rot. Bonds4

About N-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide

N-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide (PubChem CID 50962025) has the molecular formula C21H21F2NO2 and a molecular weight of 357.40 g/mol. Its IUPAC name is N-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide
PubChem CID50962025
Molecular FormulaC21H21F2NO2
Molecular Weight357.40 g/mol
Exact Mass357.15
IUPAC NameN-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](/C=C/c2ccccc2)O[C@@H](c2cc(F)cc(F)c2)C1
InChIInChI=1S/C21H21F2NO2/c1-14(25)24-19-12-20(8-7-15-5-3-2-4-6-15)26-21(13-19)16-9-17(22)11-18(23)10-16/h2-11,19-21H,12-13H2,1H3,(H,24,25)/b8-7+/t19-,20+,21+/m0/s1
InChIKeyDLGQFQPXQBFWSG-NXBXPITISA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide (CID 50962025) is N-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](/C=C/c2ccccc2)O[C@@H](c2cc(F)cc(F)c2)C1.
What is the InChIKey of N-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide?
The InChIKey is DLGQFQPXQBFWSG-NXBXPITISA-N. The full InChI is InChI=1S/C21H21F2NO2/c1-14(25)24-19-12-20(8-7-15-5-3-2-4-6-15)26-21(13-19)16-9-17(22)11-18(23)10-16/h2-11,19-21H,12-13H2,1H3,(H,24,25)/b8-7+/t19-,20+,21+/m0/s1.
What are the key properties of N-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide?
N-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide has a molecular weight of 357.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S,6S)-2-(3,5-difluorophenyl)-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide is sourced from PubChem (CID 50962025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).