4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide

C14H13BrF2N2O — CID 103586259

IUPAC4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cc(F)c(C)cc1F
InChIInChI=1S/C14H13BrF2N2O/c1-3-19-7-9(15)5-13(19)14(20)18-12-6-10(16)8(2)4-11(12)17/h4-7H,3H2,1-2H3,(H,18,20)
InChIKeyQKHQBRGGEFFDNG-UHFFFAOYSA-N
MW343.17 g/mol
LogP4.11
Rot. Bonds3

About 4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide

4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 103586259) has the molecular formula C14H13BrF2N2O and a molecular weight of 343.17 g/mol. Its IUPAC name is 4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID103586259
Molecular FormulaC14H13BrF2N2O
Molecular Weight343.17 g/mol
Exact Mass342.02
IUPAC Name4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cc(F)c(C)cc1F
InChIInChI=1S/C14H13BrF2N2O/c1-3-19-7-9(15)5-13(19)14(20)18-12-6-10(16)8(2)4-11(12)17/h4-7H,3H2,1-2H3,(H,18,20)
InChIKeyQKHQBRGGEFFDNG-UHFFFAOYSA-N
XLogP4.11
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 54.11
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
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-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
4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
CID 43640826

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide (CID 103586259) is 4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1cc(F)c(C)cc1F.
What is the InChIKey of 4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is QKHQBRGGEFFDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2O/c1-3-19-7-9(15)5-13(19)14(20)18-12-6-10(16)8(2)4-11(12)17/h4-7H,3H2,1-2H3,(H,18,20).
What are the key properties of 4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide?
4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 343.17 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 103586259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).