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

C13H11BrCl2N2O — CID 55600384

IUPACN-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Cl)c(Cl)n2C)c(Br)c1
InChIInChI=1S/C13H11BrCl2N2O/c1-7-3-4-10(8(14)5-7)17-13(19)11-6-9(15)12(16)18(11)2/h3-6H,1-2H3,(H,17,19)
InChIKeyQSMOPEFINYEWHS-UHFFFAOYSA-N
MW362.05 g/mol
LogP4.66
Rot. Bonds2

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

N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide (PubChem CID 55600384) has the molecular formula C13H11BrCl2N2O and a molecular weight of 362.05 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
PubChem CID55600384
Molecular FormulaC13H11BrCl2N2O
Molecular Weight362.05 g/mol
Exact Mass359.94
IUPAC NameN-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Cl)c(Cl)n2C)c(Br)c1
InChIInChI=1S/C13H11BrCl2N2O/c1-7-3-4-10(8(14)5-7)17-13(19)11-6-9(15)12(16)18(11)2/h3-6H,1-2H3,(H,17,19)
InChIKeyQSMOPEFINYEWHS-UHFFFAOYSA-N
XLogP4.66
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826732
N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
CID 99796213
N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110862990
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866
N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide
CID 81004240
4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
CID 154773651
2-amino-N-(2-bromo-4-chlorophenyl)-5-methylbenzamide
CID 81262086
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511860
N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742902

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide (CID 55600384) is N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide is Cc1ccc(NC(=O)c2cc(Cl)c(Cl)n2C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide?
The InChIKey is QSMOPEFINYEWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O/c1-7-3-4-10(8(14)5-7)17-13(19)11-6-9(15)12(16)18(11)2/h3-6H,1-2H3,(H,17,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide?
N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide has a molecular weight of 362.05 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55600384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).