4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide

C13H9BrClF3N2O — CID 43411079

IUPAC4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H9BrClF3N2O/c1-20-6-7(14)4-11(20)12(21)19-10-3-2-8(15)5-9(10)13(16,17)18/h2-6H,1H3,(H,19,21)
InChIKeyFZQNOWWNKIDISG-UHFFFAOYSA-N
MW381.58 g/mol
LogP4.71
Rot. Bonds2

About 4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide

4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 43411079) has the molecular formula C13H9BrClF3N2O and a molecular weight of 381.58 g/mol. Its IUPAC name is 4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID43411079
Molecular FormulaC13H9BrClF3N2O
Molecular Weight381.58 g/mol
Exact Mass379.95
IUPAC Name4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H9BrClF3N2O/c1-20-6-7(14)4-11(20)12(21)19-10-3-2-8(15)5-9(10)13(16,17)18/h2-6H,1H3,(H,19,21)
InChIKeyFZQNOWWNKIDISG-UHFFFAOYSA-N
XLogP4.71
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.58
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43642876
4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43411016
N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 60728721
4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411034
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide
CID 4209824
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 103842486
4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 43411021
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253975
4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 81003777

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide (CID 43411079) is 4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is FZQNOWWNKIDISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF3N2O/c1-20-6-7(14)4-11(20)12(21)19-10-3-2-8(15)5-9(10)13(16,17)18/h2-6H,1H3,(H,19,21).
What are the key properties of 4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 381.58 g/mol, XLogP of 4.71, 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-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43411079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).