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

C13H12BrFN2O — CID 60667423

IUPAC4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)c[nH]1)c1ccc(F)cc1
InChIInChI=1S/C13H12BrFN2O/c1-2-17(11-5-3-10(15)4-6-11)13(18)12-7-9(14)8-16-12/h3-8,16H,2H2,1H3
InChIKeyMPIXMPBBAHLEBA-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.58
Rot. Bonds3

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

4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 60667423) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
PubChem CID60667423
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)c[nH]1)c1ccc(F)cc1
InChIInChI=1S/C13H12BrFN2O/c1-2-17(11-5-3-10(15)4-6-11)13(18)12-7-9(14)8-16-12/h3-8,16H,2H2,1H3
InChIKeyMPIXMPBBAHLEBA-UHFFFAOYSA-N
XLogP3.58
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide
CID 103706641
4-[(4-bromo-1H-pyrrole-2-carbonyl)-(2-hydroxyethyl)amino]benzoic acid
CID 60831427
2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592661
4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 43642182
4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide
CID 43410885
3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide
CID 60661053
N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
CID 63213159
N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide
CID 78969627
5-bromo-N-ethyl-N-(4-fluorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62236094
N-ethyl-N-(4-fluorophenyl)-1H-indole-3-carboxamide
CID 60661185
4-amino-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 62160198
4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide
CID 82811257

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide (CID 60667423) is 4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide is CCN(C(=O)c1cc(Br)c[nH]1)c1ccc(F)cc1.
What is the InChIKey of 4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is MPIXMPBBAHLEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-2-17(11-5-3-10(15)4-6-11)13(18)12-7-9(14)8-16-12/h3-8,16H,2H2,1H3.
What are the key properties of 4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 311.15 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60667423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).