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

C13H19BrN2O — CID 63281523

IUPAC4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC1CCCC1C
InChIInChI=1S/C13H19BrN2O/c1-3-16-8-10(14)7-12(16)13(17)15-11-6-4-5-9(11)2/h7-9,11H,3-6H2,1-2H3,(H,15,17)
InChIKeyORKDNJDNEPKUKE-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.19
Rot. Bonds3

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

4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide (PubChem CID 63281523) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide
PubChem CID63281523
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC1CCCC1C
InChIInChI=1S/C13H19BrN2O/c1-3-16-8-10(14)7-12(16)13(17)15-11-6-4-5-9(11)2/h7-9,11H,3-6H2,1-2H3,(H,15,17)
InChIKeyORKDNJDNEPKUKE-UHFFFAOYSA-N
XLogP3.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide
CID 55222795
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide
CID 63525805
2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64814721
4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 60955841
4-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66223097
4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide
CID 62408221
4-bromo-1-ethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrrole-2-carboxamide
CID 79350450
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-oxopiperidin-3-yl)pyrrole-2-carboxamide
CID 62093648

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide (CID 63281523) is 4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NC1CCCC1C.
What is the InChIKey of 4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide?
The InChIKey is ORKDNJDNEPKUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-16-8-10(14)7-12(16)13(17)15-11-6-4-5-9(11)2/h7-9,11H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide has a molecular weight of 299.21 g/mol, XLogP of 3.19, 3 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-methylcyclopentyl)pyrrole-2-carboxamide is sourced from PubChem (CID 63281523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).