4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide

C11H9BrFN3O — CID 43643192

IUPAC4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccc(F)cc2Br)c1
InChIInChI=1S/C11H9BrFN3O/c12-8-3-6(13)1-2-9(8)16-11(17)10-4-7(14)5-15-10/h1-5,15H,14H2,(H,16,17)
InChIKeyJNYFKPCBDHTQNC-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.75
Rot. Bonds2

About 4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide

4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 43643192) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide
PubChem CID43643192
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccc(F)cc2Br)c1
InChIInChI=1S/C11H9BrFN3O/c12-8-3-6(13)1-2-9(8)16-11(17)10-4-7(14)5-15-10/h1-5,15H,14H2,(H,16,17)
InChIKeyJNYFKPCBDHTQNC-UHFFFAOYSA-N
XLogP2.75
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide
CID 54955471
4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43643363
N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 43134338
(2-bromo-4-fluorophenyl)urea
CID 28939155
4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide
CID 43410581
5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide
CID 107374346
4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
CID 61130923
N-(2-bromo-4-fluorophenyl)pyridine-4-carboxamide
CID 28938574
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43642725
4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43643328

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide (CID 43643192) is 4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)Nc2ccc(F)cc2Br)c1.
What is the InChIKey of 4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is JNYFKPCBDHTQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c12-8-3-6(13)1-2-9(8)16-11(17)10-4-7(14)5-15-10/h1-5,15H,14H2,(H,16,17).
What are the key properties of 4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 298.12 g/mol, XLogP of 2.75, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43643192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).