5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide

C26H23FN2O3 — CID 142834990

IUPAC5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide
SMILESCc1ccc(-n2c(C)ccc2-c2cc(O)ccc2OCc2ccc(F)cc2)cc1C(N)=O
InChIInChI=1S/C26H23FN2O3/c1-16-3-9-20(13-22(16)26(28)31)29-17(2)4-11-24(29)23-14-21(30)10-12-25(23)32-15-18-5-7-19(27)8-6-18/h3-14,30H,15H2,1-2H3,(H2,28,31)
InChIKeyDLIFWAOGXIZESY-UHFFFAOYSA-N
MW430.48 g/mol
LogP5.28
Rot. Bonds6

About 5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide

5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide (PubChem CID 142834990) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is 5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide
PubChem CID142834990
Molecular FormulaC26H23FN2O3
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC Name5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide
SMILESCc1ccc(-n2c(C)ccc2-c2cc(O)ccc2OCc2ccc(F)cc2)cc1C(N)=O
InChIInChI=1S/C26H23FN2O3/c1-16-3-9-20(13-22(16)26(28)31)29-17(2)4-11-24(29)23-14-21(30)10-12-25(23)32-15-18-5-7-19(27)8-6-18/h3-14,30H,15H2,1-2H3,(H2,28,31)
InChIKeyDLIFWAOGXIZESY-UHFFFAOYSA-N
XLogP5.28
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide?
The IUPAC name of 5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide (CID 142834990) is 5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide.
What is the SMILES notation for 5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide?
The canonical SMILES for 5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide is Cc1ccc(-n2c(C)ccc2-c2cc(O)ccc2OCc2ccc(F)cc2)cc1C(N)=O.
What is the InChIKey of 5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide?
The InChIKey is DLIFWAOGXIZESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3/c1-16-3-9-20(13-22(16)26(28)31)29-17(2)4-11-24(29)23-14-21(30)10-12-25(23)32-15-18-5-7-19(27)8-6-18/h3-14,30H,15H2,1-2H3,(H2,28,31).
What are the key properties of 5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide?
5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide has a molecular weight of 430.48 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[(4-fluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]-2-methylbenzamide is sourced from PubChem (CID 142834990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).