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

C21H18FNO2 — CID 122581285

IUPAC3-[2-(4-fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide
SMILESNC(=O)CCc1cc(-c2ccccc2)ccc1-c1ccc(F)c(O)c1
InChIInChI=1S/C21H18FNO2/c22-19-10-7-17(13-20(19)24)18-9-6-15(14-4-2-1-3-5-14)12-16(18)8-11-21(23)25/h1-7,9-10,12-13,24H,8,11H2,(H2,23,25)
InChIKeyRDAXYTMDGSSMOC-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.28
Rot. Bonds5

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

3-[2-(4-fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide (PubChem CID 122581285) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-[2-(4-fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide
PubChem CID122581285
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Name3-[2-(4-fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide
SMILESNC(=O)CCc1cc(-c2ccccc2)ccc1-c1ccc(F)c(O)c1
InChIInChI=1S/C21H18FNO2/c22-19-10-7-17(13-20(19)24)18-9-6-15(14-4-2-1-3-5-14)12-16(18)8-11-21(23)25/h1-7,9-10,12-13,24H,8,11H2,(H2,23,25)
InChIKeyRDAXYTMDGSSMOC-UHFFFAOYSA-N
XLogP4.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Hydroxy-1-naphthyl)propanamide
CID 44322673
N-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide
CID 166633384
4-[(E)-2-[3-(5-fluoro-2-hydroxyphenyl)phenyl]ethenyl]-N-hydroxybenzamide
CID 166636341
2-(carbamylmethyl)-8-hydroxy-3H-cyclopenta(a)naphthalene
CID 189776
(3R,4S)-3,4-bis(4-hydroxyphenyl)hexanamide
CID 12962933
Hydroxy-napthalenacetamide
CID 20349993
3-(1-Hydroxynaphthalen-2-yl)propanamide
CID 129163797
2-[(3Z)-2-ethyl-7-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylidene]inden-1-yl]acetamide
CID 10833140
2-(2',4'-Difluoro-2-hydroxy-4-biphenylyl)propionamide
CID 21412652
3-[2-[3-(Difluoromethyl)-4-[3-(trifluoromethyl)phenyl]phenyl]-5-hydroxyphenyl]propanoic acid
CID 52918585
3-[5-Hydroxy-2-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]phenyl]propanoic acid
CID 52920183
3-[2-[3-(Fluoromethyl)-4-(3-methylphenyl)phenyl]-5-hydroxyphenyl]propanoic acid
CID 52920306

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide?
The IUPAC name of 3-[2-(4-fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide (CID 122581285) is 3-[2-(4-fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide.
What is the SMILES notation for 3-[2-(4-fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide?
The canonical SMILES for 3-[2-(4-fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide is NC(=O)CCc1cc(-c2ccccc2)ccc1-c1ccc(F)c(O)c1.
What is the InChIKey of 3-[2-(4-fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide?
The InChIKey is RDAXYTMDGSSMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c22-19-10-7-17(13-20(19)24)18-9-6-15(14-4-2-1-3-5-14)12-16(18)8-11-21(23)25/h1-7,9-10,12-13,24H,8,11H2,(H2,23,25).
What are the key properties of 3-[2-(4-fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide?
3-[2-(4-fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide has a molecular weight of 335.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide is sourced from PubChem (CID 122581285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).