[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone

C17H11F2NO2 — CID 10424810

IUPAC[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccn(-c2cc(F)c(O)c(F)c2)c1
InChIInChI=1S/C17H11F2NO2/c18-14-8-13(9-15(19)17(14)22)20-7-6-12(10-20)16(21)11-4-2-1-3-5-11/h1-10,22H
InChIKeyDGPWCCFKELIMEO-UHFFFAOYSA-N
MW299.28 g/mol
LogP3.69
Rot. Bonds3

About [1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone

[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone (PubChem CID 10424810) has the molecular formula C17H11F2NO2 and a molecular weight of 299.28 g/mol. Its IUPAC name is [1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone
PubChem CID10424810
Molecular FormulaC17H11F2NO2
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccn(-c2cc(F)c(O)c(F)c2)c1
InChIInChI=1S/C17H11F2NO2/c18-14-8-13(9-15(19)17(14)22)20-7-6-12(10-20)16(21)11-4-2-1-3-5-11/h1-10,22H
InChIKeyDGPWCCFKELIMEO-UHFFFAOYSA-N
XLogP3.69
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone?
The IUPAC name of [1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone (CID 10424810) is [1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone?
The canonical SMILES for [1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone is O=C(c1ccccc1)c1ccn(-c2cc(F)c(O)c(F)c2)c1.
What is the InChIKey of [1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone?
The InChIKey is DGPWCCFKELIMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO2/c18-14-8-13(9-15(19)17(14)22)20-7-6-12(10-20)16(21)11-4-2-1-3-5-11/h1-10,22H.
What are the key properties of [1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone?
[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone has a molecular weight of 299.28 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-3-yl]-phenylmethanone is sourced from PubChem (CID 10424810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).