4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide

C12H9BrF2N2O — CID 43411067

IUPAC4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C12H9BrF2N2O/c1-17-6-7(13)5-10(17)12(18)16-11-8(14)3-2-4-9(11)15/h2-6H,1H3,(H,16,18)
InChIKeyJCDIOZQBLZBKQR-UHFFFAOYSA-N
MW315.12 g/mol
LogP3.32
Rot. Bonds2

About 4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 43411067) has the molecular formula C12H9BrF2N2O and a molecular weight of 315.12 g/mol. Its IUPAC name is 4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
PubChem CID43411067
Molecular FormulaC12H9BrF2N2O
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C12H9BrF2N2O/c1-17-6-7(13)5-10(17)12(18)16-11-8(14)3-2-4-9(11)15/h2-6H,1H3,(H,16,18)
InChIKeyJCDIOZQBLZBKQR-UHFFFAOYSA-N
XLogP3.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411034
4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 103842486
N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 67517600
N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 60728721
N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide
CID 110467115
4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60698314
4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 43411021
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide
CID 43410978
4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 27036737
4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954936
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
4-bromo-N-[3-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60698428

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide (CID 43411067) is 4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is JCDIOZQBLZBKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O/c1-17-6-7(13)5-10(17)12(18)16-11-8(14)3-2-4-9(11)15/h2-6H,1H3,(H,16,18).
What are the key properties of 4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 315.12 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43411067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).