4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide

C11H7BrF2N2O — CID 43410581

IUPAC4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cc(Br)c[nH]1
InChIInChI=1S/C11H7BrF2N2O/c12-6-3-10(15-5-6)11(17)16-9-4-7(13)1-2-8(9)14/h1-5,15H,(H,16,17)
InChIKeyWSNZJJXGXIMTSI-UHFFFAOYSA-N
MW301.09 g/mol
LogP3.31
Rot. Bonds2

About 4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 43410581) has the molecular formula C11H7BrF2N2O and a molecular weight of 301.09 g/mol. Its IUPAC name is 4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide
PubChem CID43410581
Molecular FormulaC11H7BrF2N2O
Molecular Weight301.09 g/mol
Exact Mass299.97
IUPAC Name4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cc(Br)c[nH]1
InChIInChI=1S/C11H7BrF2N2O/c12-6-3-10(15-5-6)11(17)16-9-4-7(13)1-2-8(9)14/h1-5,15H,(H,16,17)
InChIKeyWSNZJJXGXIMTSI-UHFFFAOYSA-N
XLogP3.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide 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

4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
CID 61130923
4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 47268272
4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 36679405
4-bromo-N-(2,5-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410564
5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide
CID 62952498
4-bromo-N-(2-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 47116125
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 43643192
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410594
5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 62072760
4-bromo-N-(2-hydroxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 18109016

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide (CID 43410581) is 4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide is O=C(Nc1cc(F)ccc1F)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WSNZJJXGXIMTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O/c12-6-3-10(15-5-6)11(17)16-9-4-7(13)1-2-8(9)14/h1-5,15H,(H,16,17).
What are the key properties of 4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 301.09 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43410581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).