4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide

C11H15BrN2O — CID 55211463

IUPAC4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC1CCC1
InChIInChI=1S/C11H15BrN2O/c1-2-14-7-8(12)6-10(14)11(15)13-9-4-3-5-9/h6-7,9H,2-5H2,1H3,(H,13,15)
InChIKeyLWLGMNOHWJHJPZ-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.55
Rot. Bonds3

About 4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide

4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide (PubChem CID 55211463) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
PubChem CID55211463
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC1CCC1
InChIInChI=1S/C11H15BrN2O/c1-2-14-7-8(12)6-10(14)11(15)13-9-4-3-5-9/h6-7,9H,2-5H2,1H3,(H,13,15)
InChIKeyLWLGMNOHWJHJPZ-UHFFFAOYSA-N
XLogP2.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
4-bromo-1-ethyl-N-piperidin-3-ylpyrrole-2-carboxamide;hydrochloride
CID 119424531
4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide
CID 61212021
4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide
CID 63281523
4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide
CID 55222795
4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide
CID 63525805
4-bromo-1-ethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrrole-2-carboxamide
CID 79350450
4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide
CID 61170021
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 60955841
4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide
CID 62093648
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide
CID 106012286

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide (CID 55211463) is 4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NC1CCC1.
What is the InChIKey of 4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide?
The InChIKey is LWLGMNOHWJHJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-2-14-7-8(12)6-10(14)11(15)13-9-4-3-5-9/h6-7,9H,2-5H2,1H3,(H,13,15).
What are the key properties of 4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide?
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 55211463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).