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

C15H23BrN2O — CID 55222795

IUPAC4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide
SMILESCCC1CCCCC1NC(=O)c1cc(Br)cn1CC
InChIInChI=1S/C15H23BrN2O/c1-3-11-7-5-6-8-13(11)17-15(19)14-9-12(16)10-18(14)4-2/h9-11,13H,3-8H2,1-2H3,(H,17,19)
InChIKeyYBDFPAQWJCSZHD-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.97
Rot. Bonds4

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

4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide (PubChem CID 55222795) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide
PubChem CID55222795
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide
SMILESCCC1CCCCC1NC(=O)c1cc(Br)cn1CC
InChIInChI=1S/C15H23BrN2O/c1-3-11-7-5-6-8-13(11)17-15(19)14-9-12(16)10-18(14)4-2/h9-11,13H,3-8H2,1-2H3,(H,17,19)
InChIKeyYBDFPAQWJCSZHD-UHFFFAOYSA-N
XLogP3.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide
CID 63525805
4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide
CID 63281523
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
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-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
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-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66223097
2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64814721
4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide
CID 62093648
4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide
CID 106012286

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide (CID 55222795) is 4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide is CCC1CCCCC1NC(=O)c1cc(Br)cn1CC.
What is the InChIKey of 4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide?
The InChIKey is YBDFPAQWJCSZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-11-7-5-6-8-13(11)17-15(19)14-9-12(16)10-18(14)4-2/h9-11,13H,3-8H2,1-2H3,(H,17,19).
What are the key properties of 4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide has a molecular weight of 327.27 g/mol, XLogP of 3.97, 4 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-ethylcyclohexyl)pyrrole-2-carboxamide is sourced from PubChem (CID 55222795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).