4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide

C11H7BrCl2N2O — CID 36679405

IUPAC4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(Br)c[nH]1
InChIInChI=1S/C11H7BrCl2N2O/c12-6-3-10(15-5-6)11(17)16-9-2-1-7(13)4-8(9)14/h1-5,15H,(H,16,17)
InChIKeyQJAAZPWUOODIAY-UHFFFAOYSA-N
MW334.00 g/mol
LogP4.34
Rot. Bonds2

About 4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 36679405) has the molecular formula C11H7BrCl2N2O and a molecular weight of 334.00 g/mol. Its IUPAC name is 4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide
PubChem CID36679405
Molecular FormulaC11H7BrCl2N2O
Molecular Weight334.00 g/mol
Exact Mass331.91
IUPAC Name4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(Br)c[nH]1
InChIInChI=1S/C11H7BrCl2N2O/c12-6-3-10(15-5-6)11(17)16-9-2-1-7(13)4-8(9)14/h1-5,15H,(H,16,17)
InChIKeyQJAAZPWUOODIAY-UHFFFAOYSA-N
XLogP4.34
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.00
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2,5-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410564
4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410594
4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43643363
4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide
CID 43410581
N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 68952080
5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 62072760
4-bromo-N-(4-bromo-3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 107613080
4-bromo-N-(2-hydroxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 18109016
4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3,5-dichlorobenzoic acid
CID 82830406
4-bromo-N-(2-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 47116125
4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 64793249
4-bromo-3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 107812319

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide (CID 36679405) is 4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is QJAAZPWUOODIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2O/c12-6-3-10(15-5-6)11(17)16-9-2-1-7(13)4-8(9)14/h1-5,15H,(H,16,17).
What are the key properties of 4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 334.00 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 36679405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).