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

C13H12BrClN2O — CID 43411021

IUPAC4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H12BrClN2O/c1-8-10(15)4-3-5-11(8)16-13(18)12-6-9(14)7-17(12)2/h3-7H,1-2H3,(H,16,18)
InChIKeyWEEVUQALVOQEER-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.00
Rot. Bonds2

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

4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 43411021) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID43411021
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H12BrClN2O/c1-8-10(15)4-3-5-11(8)16-13(18)12-6-9(14)7-17(12)2/h3-7H,1-2H3,(H,16,18)
InChIKeyWEEVUQALVOQEER-UHFFFAOYSA-N
XLogP4.00
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.00
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-1-methyl-N-(2-methyl-3-nitrophenyl)pyrrole-2-carboxamide
CID 60698474
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-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide
CID 60698285
4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide
CID 99696332
2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide
CID 113345152
4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide
CID 60727478
4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 113349883
4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide
CID 104668257
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43411079

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide (CID 43411021) is 4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is WEEVUQALVOQEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-8-10(15)4-3-5-11(8)16-13(18)12-6-9(14)7-17(12)2/h3-7H,1-2H3,(H,16,18).
What are the key properties of 4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 327.61 g/mol, XLogP of 4.00, 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-methylphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43411021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).