N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide

C12H9BrCl2N2O — CID 31302300

IUPACN-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Cl)c(Cl)[nH]2)ccc1Br
InChIInChI=1S/C12H9BrCl2N2O/c1-6-4-7(2-3-8(6)13)16-12(18)10-5-9(14)11(15)17-10/h2-5,17H,1H3,(H,16,18)
InChIKeyPYOLWJXRHLRNRM-UHFFFAOYSA-N
MW348.03 g/mol
LogP4.64
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide

N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide (PubChem CID 31302300) has the molecular formula C12H9BrCl2N2O and a molecular weight of 348.03 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
PubChem CID31302300
Molecular FormulaC12H9BrCl2N2O
Molecular Weight348.03 g/mol
Exact Mass345.93
IUPAC NameN-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Cl)c(Cl)[nH]2)ccc1Br
InChIInChI=1S/C12H9BrCl2N2O/c1-6-4-7(2-3-8(6)13)16-12(18)10-5-9(14)11(15)17-10/h2-5,17H,1H3,(H,16,18)
InChIKeyPYOLWJXRHLRNRM-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

4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 64787518
N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31301489
N-(4-bromo-3-methylphenyl)-2,6-dichlorobenzamide
CID 3367172
N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 43806529
N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 113207145
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
2-chloro-4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 61398560
2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
CID 113221431
N-(4-bromo-3-methylphenyl)-5-chloro-2-hydroxybenzamide
CID 28532000
4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole-2-carboxamide
CID 37167618
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
CID 115539970
5-amino-N-(4-bromo-3-methylphenyl)-2,3-dichlorobenzamide
CID 107183354

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide (CID 31302300) is N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide is Cc1cc(NC(=O)c2cc(Cl)c(Cl)[nH]2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The InChIKey is PYOLWJXRHLRNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O/c1-6-4-7(2-3-8(6)13)16-12(18)10-5-9(14)11(15)17-10/h2-5,17H,1H3,(H,16,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
N-(4-bromo-3-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-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 31302300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).