7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid

C20H26FNO4 — CID 141004681

IUPAC7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid
SMILESCC(C)c1c(O)c(O)c(-c2ccc(F)cc2)n1CCCCCCC(=O)O
InChIInChI=1S/C20H26FNO4/c1-13(2)17-19(25)20(26)18(14-8-10-15(21)11-9-14)22(17)12-6-4-3-5-7-16(23)24/h8-11,13,25-26H,3-7,12H2,1-2H3,(H,23,24)
InChIKeyDJUWAACXZFNTOZ-UHFFFAOYSA-N
MW363.43 g/mol
LogP4.86
Rot. Bonds9

About 7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid

7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid (PubChem CID 141004681) has the molecular formula C20H26FNO4 and a molecular weight of 363.43 g/mol. Its IUPAC name is 7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid
PubChem CID141004681
Molecular FormulaC20H26FNO4
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid
SMILESCC(C)c1c(O)c(O)c(-c2ccc(F)cc2)n1CCCCCCC(=O)O
InChIInChI=1S/C20H26FNO4/c1-13(2)17-19(25)20(26)18(14-8-10-15(21)11-9-14)22(17)12-6-4-3-5-7-16(23)24/h8-11,13,25-26H,3-7,12H2,1-2H3,(H,23,24)
InChIKeyDJUWAACXZFNTOZ-UHFFFAOYSA-N
XLogP4.86
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminobutyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 11956447
(3R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-methoxyheptanoic acid
CID 122531815
5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54349223
5-(4-fluorophenyl)-1-(3-oxohex-5-enyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 58708288
3-tert-butyl-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-2,2-dihydroxyheptanoate
CID 86643743
6-(4-fluorophenyl)hexanoic acid
CID 14739735
(3R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxy-5-oxoheptanoic acid
CID 71751364
7-(4-fluoroanilino)-7-oxoheptanoic acid
CID 68559650
7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxyhept-6-enoic acid
CID 90858601
methyl 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxyheptanoate
CID 153395042
(5R)-7-[3-(4-fluorophenyl)-2-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-oxoheptanoic acid
CID 102459035
(3R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
CID 21029434

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid?
The IUPAC name of 7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid (CID 141004681) is 7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid.
What is the SMILES notation for 7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid?
The canonical SMILES for 7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid is CC(C)c1c(O)c(O)c(-c2ccc(F)cc2)n1CCCCCCC(=O)O.
What is the InChIKey of 7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid?
The InChIKey is DJUWAACXZFNTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO4/c1-13(2)17-19(25)20(26)18(14-8-10-15(21)11-9-14)22(17)12-6-4-3-5-7-16(23)24/h8-11,13,25-26H,3-7,12H2,1-2H3,(H,23,24).
What are the key properties of 7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid?
7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid has a molecular weight of 363.43 g/mol, XLogP of 4.86, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid is sourced from PubChem (CID 141004681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).