(4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone

C17H9BrF3NO2 — CID 71524661

IUPAC(4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone
SMILESO=C(c1ccc(Br)cc1F)c1cccn1-c1cc(F)c(O)c(F)c1
InChIInChI=1S/C17H9BrF3NO2/c18-9-3-4-11(12(19)6-9)16(23)15-2-1-5-22(15)10-7-13(20)17(24)14(21)8-10/h1-8,24H
InChIKeyJDOHUKWVYXYFDH-UHFFFAOYSA-N
MW396.16 g/mol
LogP4.59
Rot. Bonds3

About (4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone

(4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone (PubChem CID 71524661) has the molecular formula C17H9BrF3NO2 and a molecular weight of 396.16 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone
PubChem CID71524661
Molecular FormulaC17H9BrF3NO2
Molecular Weight396.16 g/mol
Exact Mass394.98
IUPAC Name(4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone
SMILESO=C(c1ccc(Br)cc1F)c1cccn1-c1cc(F)c(O)c(F)c1
InChIInChI=1S/C17H9BrF3NO2/c18-9-3-4-11(12(19)6-9)16(23)15-2-1-5-22(15)10-7-13(20)17(24)14(21)8-10/h1-8,24H
InChIKeyJDOHUKWVYXYFDH-UHFFFAOYSA-N
XLogP4.59
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.16
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone 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 (4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone (CID 71524661) is (4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone is O=C(c1ccc(Br)cc1F)c1cccn1-c1cc(F)c(O)c(F)c1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone?
The InChIKey is JDOHUKWVYXYFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrF3NO2/c18-9-3-4-11(12(19)6-9)16(23)15-2-1-5-22(15)10-7-13(20)17(24)14(21)8-10/h1-8,24H.
What are the key properties of (4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone?
(4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone has a molecular weight of 396.16 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 71524661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).