4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide

C13H10BrF3N2O — CID 62816949

IUPAC4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C13H10BrF3N2O/c1-2-19-6-7(14)3-12(19)13(20)18-11-5-9(16)8(15)4-10(11)17/h3-6H,2H2,1H3,(H,18,20)
InChIKeyDVUCOPZOGXXDIU-UHFFFAOYSA-N
MW347.13 g/mol
LogP3.94
Rot. Bonds3

About 4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide

4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide (PubChem CID 62816949) has the molecular formula C13H10BrF3N2O and a molecular weight of 347.13 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
PubChem CID62816949
Molecular FormulaC13H10BrF3N2O
Molecular Weight347.13 g/mol
Exact Mass345.99
IUPAC Name4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C13H10BrF3N2O/c1-2-19-6-7(14)3-12(19)13(20)18-11-5-9(16)8(15)4-10(11)17/h3-6H,2H2,1H3,(H,18,20)
InChIKeyDVUCOPZOGXXDIU-UHFFFAOYSA-N
XLogP3.94
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 53.94
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-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide
CID 103586259
4-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-3-fluorobenzoic acid
CID 63189791
4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 103753374
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43639581
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639461
N-(3-amino-4-fluorophenyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 63257043
4-bromo-1-cyclopropyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62814713
4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide
CID 60955987
4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955301
4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 103842486

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide (CID 62816949) is 4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1cc(F)c(F)cc1F.
What is the InChIKey of 4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide?
The InChIKey is DVUCOPZOGXXDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O/c1-2-19-6-7(14)3-12(19)13(20)18-11-5-9(16)8(15)4-10(11)17/h3-6H,2H2,1H3,(H,18,20).
What are the key properties of 4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide has a molecular weight of 347.13 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 62816949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).