4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide

C16H19BrN2O — CID 60955987

IUPAC4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide
SMILESCCCc1ccccc1NC(=O)c1cc(Br)cn1CC
InChIInChI=1S/C16H19BrN2O/c1-3-7-12-8-5-6-9-14(12)18-16(20)15-10-13(17)11-19(15)4-2/h5-6,8-11H,3-4,7H2,1-2H3,(H,18,20)
InChIKeyQXSXXLPFQZBCAU-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.48
Rot. Bonds5

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

4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide (PubChem CID 60955987) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide
PubChem CID60955987
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide
SMILESCCCc1ccccc1NC(=O)c1cc(Br)cn1CC
InChIInChI=1S/C16H19BrN2O/c1-3-7-12-8-5-6-9-14(12)18-16(20)15-10-13(17)11-19(15)4-2/h5-6,8-11H,3-4,7H2,1-2H3,(H,18,20)
InChIKeyQXSXXLPFQZBCAU-UHFFFAOYSA-N
XLogP4.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide
CID 63525463
4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride
CID 119438837
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43639581
4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide
CID 43640837
4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62816949
4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 103753374
4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954936
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-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide
CID 103586259
4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955437

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide (CID 60955987) is 4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide is CCCc1ccccc1NC(=O)c1cc(Br)cn1CC.
What is the InChIKey of 4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide?
The InChIKey is QXSXXLPFQZBCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-7-12-8-5-6-9-14(12)18-16(20)15-10-13(17)11-19(15)4-2/h5-6,8-11H,3-4,7H2,1-2H3,(H,18,20).
What are the key properties of 4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide has a molecular weight of 335.25 g/mol, XLogP of 4.48, 5 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-propylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 60955987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).