1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide

C20H19FN2O3 — CID 90814480

IUPAC1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1c(O)cn(-c2ccc(F)cc2)c1O
InChIInChI=1S/C20H19FN2O3/c1-12(2)15-5-3-4-6-16(15)22-19(25)18-17(24)11-23(20(18)26)14-9-7-13(21)8-10-14/h3-12,24,26H,1-2H3,(H,22,25)
InChIKeyMKXKZDBNHXOESO-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.40
Rot. Bonds4

About 1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide

1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide (PubChem CID 90814480) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
PubChem CID90814480
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1c(O)cn(-c2ccc(F)cc2)c1O
InChIInChI=1S/C20H19FN2O3/c1-12(2)15-5-3-4-6-16(15)22-19(25)18-17(24)11-23(20(18)26)14-9-7-13(21)8-10-14/h3-12,24,26H,1-2H3,(H,22,25)
InChIKeyMKXKZDBNHXOESO-UHFFFAOYSA-N
XLogP4.40
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dihydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 91149221
2-fluoro-6-hydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 104916685
2-hydroxy-4-methoxy-1-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 90928405
2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 4547297
N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954266
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
N-(2-propan-2-ylphenyl)benzamide
CID 723391
1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 47032089
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
N-[2-(1-chloroethyl)phenyl]-2-fluoro-6-hydroxybenzamide
CID 107016832
N-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide
CID 107014627
2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 103891803

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide (CID 90814480) is 1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide is CC(C)c1ccccc1NC(=O)c1c(O)cn(-c2ccc(F)cc2)c1O.
What is the InChIKey of 1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?
The InChIKey is MKXKZDBNHXOESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-12(2)15-5-3-4-6-16(15)22-19(25)18-17(24)11-23(20(18)26)14-9-7-13(21)8-10-14/h3-12,24,26H,1-2H3,(H,22,25).
What are the key properties of 1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide?
1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,4-dihydroxy-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 90814480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).