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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[2-[(2,4-difluorophenyl)methoxy]-5-hydroxyphenyl]-5-methylpyrrol-1-yl]naphthalene-1-carboxamide
CID 142835378
3-amino-5-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-2-methylbenzoic acid;ethane
CID 142834988
ethane;3-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-5-methylpyrrol-1-yl]benzoic acid
CID 142835437
5-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-2-chlorobenzoic acid;5-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-2-chloro-N-[(1S)-1-phenylethyl]benzamide
CID 161311104
5-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-2-methylbenzoic acid
CID 58854417
5-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-2-methoxybenzoic acid
CID 10459580
N-[3-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide
CID 58854355
5-[2-[5-bromo-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-2-chlorobenzoic acid
CID 58854340
4-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenol
CID 142835104
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-[2-[5-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzoic acid
CID 58854304
2-chloro-5-[2-[2-[(2,4-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]-5-methylpyrrol-1-yl]benzoic acid
CID 58854312
ethyl 3-[2-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzoate
CID 58854445

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).