N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide

C13H12BrClN2O — CID 104724216

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cccn2C)cc1Cl
InChIInChI=1S/C13H12BrClN2O/c1-8-6-9(14)11(7-10(8)15)16-13(18)12-4-3-5-17(12)2/h3-7H,1-2H3,(H,16,18)
InChIKeyYKGMCALKZACPDT-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.00
Rot. Bonds2

About N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide

N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 104724216) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID104724216
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cccn2C)cc1Cl
InChIInChI=1S/C13H12BrClN2O/c1-8-6-9(14)11(7-10(8)15)16-13(18)12-4-3-5-17(12)2/h3-7H,1-2H3,(H,16,18)
InChIKeyYKGMCALKZACPDT-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

N-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide
CID 55131675
4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 104722153
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
CID 104724195
N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide
CID 104723758
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 104723934
N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104723964
N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 104723154

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide (CID 104724216) is N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide is Cc1cc(Br)c(NC(=O)c2cccn2C)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is YKGMCALKZACPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-8-6-9(14)11(7-10(8)15)16-13(18)12-4-3-5-17(12)2/h3-7H,1-2H3,(H,16,18).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide?
N-(2-bromo-5-chloro-4-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 N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 104724216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).