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

C11H6BrCl3N2O — CID 43410594

IUPAC4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Br)c[nH]1
InChIInChI=1S/C11H6BrCl3N2O/c12-5-1-10(16-4-5)11(18)17-9-3-7(14)6(13)2-8(9)15/h1-4,16H,(H,17,18)
InChIKeyRIOMAACKFWRPNG-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.99
Rot. Bonds2

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

4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 43410594) has the molecular formula C11H6BrCl3N2O and a molecular weight of 368.45 g/mol. Its IUPAC name is 4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide
PubChem CID43410594
Molecular FormulaC11H6BrCl3N2O
Molecular Weight368.45 g/mol
Exact Mass365.87
IUPAC Name4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Br)c[nH]1
InChIInChI=1S/C11H6BrCl3N2O/c12-5-1-10(16-4-5)11(18)17-9-3-7(14)6(13)2-8(9)15/h1-4,16H,(H,17,18)
InChIKeyRIOMAACKFWRPNG-UHFFFAOYSA-N
XLogP4.99
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 36679405
4-bromo-N-(2,5-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410564
4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3,5-dichlorobenzoic acid
CID 82830406
4-bromo-N-(4-bromo-3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 107613080
4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43643363
5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 62072760
4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide
CID 43410581
4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide
CID 60710210
4-bromo-N-(2-hydroxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 18109016
4-bromo-N-(2-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 47116125
4-bromo-3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 107812319
4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 64793249

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide (CID 43410594) is 4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is RIOMAACKFWRPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl3N2O/c12-5-1-10(16-4-5)11(18)17-9-3-7(14)6(13)2-8(9)15/h1-4,16H,(H,17,18).
What are the key properties of 4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43410594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).