3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide

C21H17F2NO2 — CID 122555577

IUPAC3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide
SMILESNC(=O)CCc1cc(-c2ccccc2)ccc1-c1ccc(F)c(O)c1F
InChIInChI=1S/C21H17F2NO2/c22-18-10-9-17(20(23)21(18)26)16-8-6-14(13-4-2-1-3-5-13)12-15(16)7-11-19(24)25/h1-6,8-10,12,26H,7,11H2,(H2,24,25)
InChIKeyYVEASBNUFYHCCZ-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.42
Rot. Bonds5

About 3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide

3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide (PubChem CID 122555577) has the molecular formula C21H17F2NO2 and a molecular weight of 353.37 g/mol. Its IUPAC name is 3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide.

Molecular Properties

Compound Name3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide
PubChem CID122555577
Molecular FormulaC21H17F2NO2
Molecular Weight353.37 g/mol
Exact Mass353.12
IUPAC Name3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide
SMILESNC(=O)CCc1cc(-c2ccccc2)ccc1-c1ccc(F)c(O)c1F
InChIInChI=1S/C21H17F2NO2/c22-18-10-9-17(20(23)21(18)26)16-8-6-14(13-4-2-1-3-5-13)12-15(16)7-11-19(24)25/h1-6,8-10,12,26H,7,11H2,(H2,24,25)
InChIKeyYVEASBNUFYHCCZ-UHFFFAOYSA-N
XLogP4.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide?
The IUPAC name of 3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide (CID 122555577) is 3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide.
What is the SMILES notation for 3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide?
The canonical SMILES for 3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide is NC(=O)CCc1cc(-c2ccccc2)ccc1-c1ccc(F)c(O)c1F.
What is the InChIKey of 3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide?
The InChIKey is YVEASBNUFYHCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO2/c22-18-10-9-17(20(23)21(18)26)16-8-6-14(13-4-2-1-3-5-13)12-15(16)7-11-19(24)25/h1-6,8-10,12,26H,7,11H2,(H2,24,25).
What are the key properties of 3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide?
3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide has a molecular weight of 353.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide is sourced from PubChem (CID 122555577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).