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

C13H12BrFN2O2 — CID 47268272

IUPAC4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C13H12BrFN2O2/c1-2-19-12-6-9(15)3-4-10(12)17-13(18)11-5-8(14)7-16-11/h3-7,16H,2H2,1H3,(H,17,18)
InChIKeyWSWOQLACUQTABL-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.57
Rot. Bonds4

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

4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 47268272) has the molecular formula C13H12BrFN2O2 and a molecular weight of 327.15 g/mol. Its IUPAC name is 4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide
PubChem CID47268272
Molecular FormulaC13H12BrFN2O2
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Name4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C13H12BrFN2O2/c1-2-19-12-6-9(15)3-4-10(12)17-13(18)11-5-8(14)7-16-11/h3-7,16H,2H2,1H3,(H,17,18)
InChIKeyWSWOQLACUQTABL-UHFFFAOYSA-N
XLogP3.57
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 107980262
4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide
CID 43410581
5-bromo-2-chloro-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 60794303
5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide
CID 65311452
N-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47251252
methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
CID 87006117
3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide
CID 103706921
4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 17459532
4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
CID 61130923
2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide
CID 103853379
4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide
CID 60710210
N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80711042

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide (CID 47268272) is 4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide is CCOc1cc(F)ccc1NC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WSWOQLACUQTABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2/c1-2-19-12-6-9(15)3-4-10(12)17-13(18)11-5-8(14)7-16-11/h3-7,16H,2H2,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 327.15 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47268272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).