4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide

C14H12Br2F2N2O — CID 102853993

IUPAC4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C14H12Br2F2N2O/c1-7(2)20-6-8(15)3-13(20)14(21)19-12-4-9(16)10(17)5-11(12)18/h3-7H,1-2H3,(H,19,21)
InChIKeyWAGXZFZKDVMDIY-UHFFFAOYSA-N
MW422.07 g/mol
LogP5.12
Rot. Bonds3

About 4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 102853993) has the molecular formula C14H12Br2F2N2O and a molecular weight of 422.07 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID102853993
Molecular FormulaC14H12Br2F2N2O
Molecular Weight422.07 g/mol
Exact Mass419.93
IUPAC Name4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C14H12Br2F2N2O/c1-7(2)20-6-8(15)3-13(20)14(21)19-12-4-9(16)10(17)5-11(12)18/h3-7H,1-2H3,(H,19,21)
InChIKeyWAGXZFZKDVMDIY-UHFFFAOYSA-N
XLogP5.12
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.07
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 103842486
4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641233
4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 102979147
4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640762
4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114839980
N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 63257916
4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640867
N-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103274919
4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62816949
4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115666662
N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60954488

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 102853993) is 4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of 4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is WAGXZFZKDVMDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2F2N2O/c1-7(2)20-6-8(15)3-13(20)14(21)19-12-4-9(16)10(17)5-11(12)18/h3-7H,1-2H3,(H,19,21).
What are the key properties of 4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 422.07 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 102853993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).