4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide

C13H11Br2FN2O — CID 103753374

IUPAC4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C13H11Br2FN2O/c1-2-18-7-8(14)5-12(18)13(19)17-11-6-9(16)3-4-10(11)15/h3-7H,2H2,1H3,(H,17,19)
InChIKeyUWMOFTSTPKNYJS-UHFFFAOYSA-N
MW390.05 g/mol
LogP4.42
Rot. Bonds3

About 4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide

4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 103753374) has the molecular formula C13H11Br2FN2O and a molecular weight of 390.05 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID103753374
Molecular FormulaC13H11Br2FN2O
Molecular Weight390.05 g/mol
Exact Mass387.92
IUPAC Name4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C13H11Br2FN2O/c1-2-18-7-8(14)5-12(18)13(19)17-11-6-9(16)3-4-10(11)15/h3-7H,2H2,1H3,(H,17,19)
InChIKeyUWMOFTSTPKNYJS-UHFFFAOYSA-N
XLogP4.42
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.05
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62816949
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43639581
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-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43641431
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
N-(3-amino-4-fluorophenyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 63257043
4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide
CID 60955987
4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
CID 43640826
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide
CID 104880407
4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride
CID 119438837

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide (CID 103753374) is 4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of 4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is UWMOFTSTPKNYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FN2O/c1-2-18-7-8(14)5-12(18)13(19)17-11-6-9(16)3-4-10(11)15/h3-7H,2H2,1H3,(H,17,19).
What are the key properties of 4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide?
4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 390.05 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 103753374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).