4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide

C12H9BrClFN2O — CID 43411034

IUPAC4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C12H9BrClFN2O/c1-17-6-7(13)5-10(17)12(18)16-9-4-2-3-8(14)11(9)15/h2-6H,1H3,(H,16,18)
InChIKeyINDBBBRAOGHXRR-UHFFFAOYSA-N
MW331.57 g/mol
LogP3.83
Rot. Bonds2

About 4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 43411034) has the molecular formula C12H9BrClFN2O and a molecular weight of 331.57 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide
PubChem CID43411034
Molecular FormulaC12H9BrClFN2O
Molecular Weight331.57 g/mol
Exact Mass329.96
IUPAC Name4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C12H9BrClFN2O/c1-17-6-7(13)5-10(17)12(18)16-9-4-2-3-8(14)11(9)15/h2-6H,1H3,(H,16,18)
InChIKeyINDBBBRAOGHXRR-UHFFFAOYSA-N
XLogP3.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 43411021
4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411067
4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide
CID 43410998
5-bromo-2-chloro-N-(3-chloro-2-fluorophenyl)benzamide
CID 26897422
4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954936
4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide
CID 60698285
4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 103842486
4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43411079
N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 60728721
4-bromo-1-methyl-N-(2-methyl-3-nitrophenyl)pyrrole-2-carboxamide
CID 60698474
4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide
CID 60727478
5-bromo-N-(3-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 9145915

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide (CID 43411034) is 4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of 4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is INDBBBRAOGHXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O/c1-17-6-7(13)5-10(17)12(18)16-9-4-2-3-8(14)11(9)15/h2-6H,1H3,(H,16,18).
What are the key properties of 4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 331.57 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43411034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).