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

C22H20FNO2 — CID 122581288

IUPAC3-[2-(4-fluoro-3-hydroxy-5-methylphenyl)-5-phenylphenyl]propanamide
SMILESCc1cc(-c2ccc(-c3ccccc3)cc2CCC(N)=O)cc(O)c1F
InChIInChI=1S/C22H20FNO2/c1-14-11-18(13-20(25)22(14)23)19-9-7-16(15-5-3-2-4-6-15)12-17(19)8-10-21(24)26/h2-7,9,11-13,25H,8,10H2,1H3,(H2,24,26)
InChIKeyRWPDOQVJZSTSMW-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.59
Rot. Bonds5

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

3-[2-(4-fluoro-3-hydroxy-5-methylphenyl)-5-phenylphenyl]propanamide (PubChem CID 122581288) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-[2-(4-fluoro-3-hydroxy-5-methylphenyl)-5-phenylphenyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-fluoro-3-hydroxy-5-methylphenyl)-5-phenylphenyl]propanamide
PubChem CID122581288
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC Name3-[2-(4-fluoro-3-hydroxy-5-methylphenyl)-5-phenylphenyl]propanamide
SMILESCc1cc(-c2ccc(-c3ccccc3)cc2CCC(N)=O)cc(O)c1F
InChIInChI=1S/C22H20FNO2/c1-14-11-18(13-20(25)22(14)23)19-9-7-16(15-5-3-2-4-6-15)12-17(19)8-10-21(24)26/h2-7,9,11-13,25H,8,10H2,1H3,(H2,24,26)
InChIKeyRWPDOQVJZSTSMW-UHFFFAOYSA-N
XLogP4.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(3,5-dimethylphenyl)-3-hydroxyphenyl]-N,4-dimethylpentanamide
CID 44431950
6-[4-(3,5-dimethylphenyl)-3-hydroxyphenyl]-N,6-dimethylheptanamide
CID 44431952
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
(E)-3-[2,4-bis(4-fluoro-3-hydroxyphenyl)phenyl]-N-(diaminomethylidene)-2-methylprop-2-enamide
CID 51347861
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
3-[2-[3-(Difluoromethyl)-4-(3-methylphenyl)phenyl]-5-hydroxyphenyl]propanoic acid
CID 52920435

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoro-3-hydroxy-5-methylphenyl)-5-phenylphenyl]propanamide?
The IUPAC name of 3-[2-(4-fluoro-3-hydroxy-5-methylphenyl)-5-phenylphenyl]propanamide (CID 122581288) is 3-[2-(4-fluoro-3-hydroxy-5-methylphenyl)-5-phenylphenyl]propanamide.
What is the SMILES notation for 3-[2-(4-fluoro-3-hydroxy-5-methylphenyl)-5-phenylphenyl]propanamide?
The canonical SMILES for 3-[2-(4-fluoro-3-hydroxy-5-methylphenyl)-5-phenylphenyl]propanamide is Cc1cc(-c2ccc(-c3ccccc3)cc2CCC(N)=O)cc(O)c1F.
What is the InChIKey of 3-[2-(4-fluoro-3-hydroxy-5-methylphenyl)-5-phenylphenyl]propanamide?
The InChIKey is RWPDOQVJZSTSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2/c1-14-11-18(13-20(25)22(14)23)19-9-7-16(15-5-3-2-4-6-15)12-17(19)8-10-21(24)26/h2-7,9,11-13,25H,8,10H2,1H3,(H2,24,26).
What are the key properties of 3-[2-(4-fluoro-3-hydroxy-5-methylphenyl)-5-phenylphenyl]propanamide?
3-[2-(4-fluoro-3-hydroxy-5-methylphenyl)-5-phenylphenyl]propanamide has a molecular weight of 349.41 g/mol, XLogP of 4.59, 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-hydroxy-5-methylphenyl)-5-phenylphenyl]propanamide is sourced from PubChem (CID 122581288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).