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

C12H9BrCl2N2O — CID 43806529

IUPACN-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C12H9BrCl2N2O/c1-6-2-3-7(13)4-9(6)17-12(18)10-5-8(14)11(15)16-10/h2-5,16H,1H3,(H,17,18)
InChIKeyJZOYIRHGSPQEGR-UHFFFAOYSA-N
MW348.03 g/mol
LogP4.64
Rot. Bonds2

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

N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide (PubChem CID 43806529) has the molecular formula C12H9BrCl2N2O and a molecular weight of 348.03 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
PubChem CID43806529
Molecular FormulaC12H9BrCl2N2O
Molecular Weight348.03 g/mol
Exact Mass345.93
IUPAC NameN-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C12H9BrCl2N2O/c1-6-2-3-7(13)4-9(6)17-12(18)10-5-8(14)11(15)16-10/h2-5,16H,1H3,(H,17,18)
InChIKeyJZOYIRHGSPQEGR-UHFFFAOYSA-N
XLogP4.64
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.03
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31302300
N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352
N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 60713589
N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 43134338
N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 55208813
4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide
CID 31301419
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide
CID 103337254
N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide
CID 107688790
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzamide
CID 61375909
N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601084

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide (CID 43806529) is N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide is Cc1ccc(Br)cc1NC(=O)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The InChIKey is JZOYIRHGSPQEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O/c1-6-2-3-7(13)4-9(6)17-12(18)10-5-8(14)11(15)16-10/h2-5,16H,1H3,(H,17,18).
What are the key properties of N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide has a molecular weight of 348.03 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43806529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).