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

C12H8Br2F2N2O — CID 103842486

IUPAC4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C12H8Br2F2N2O/c1-18-5-6(13)2-11(18)12(19)17-10-4-8(15)7(14)3-9(10)16/h2-5H,1H3,(H,17,19)
InChIKeyPDXQNGICCJIJSA-UHFFFAOYSA-N
MW394.01 g/mol
LogP4.08
Rot. Bonds2

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

4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 103842486) has the molecular formula C12H8Br2F2N2O and a molecular weight of 394.01 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide
PubChem CID103842486
Molecular FormulaC12H8Br2F2N2O
Molecular Weight394.01 g/mol
Exact Mass391.90
IUPAC Name4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C12H8Br2F2N2O/c1-18-5-6(13)2-11(18)12(19)17-10-4-8(15)7(14)3-9(10)16/h2-5H,1H3,(H,17,19)
InChIKeyPDXQNGICCJIJSA-UHFFFAOYSA-N
XLogP4.08
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.01
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 60728721
4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 102853993
4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411067
4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62816949
4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411034
4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43411079
4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 81003777
4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide
CID 103586259
4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide
CID 43410998
4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954936
4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 113349883
4-bromo-1-cyclopropyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62814713

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide (CID 103842486) is 4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of 4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is PDXQNGICCJIJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2F2N2O/c1-18-5-6(13)2-11(18)12(19)17-10-4-8(15)7(14)3-9(10)16/h2-5H,1H3,(H,17,19).
What are the key properties of 4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 394.01 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 103842486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).