4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide

C17H27BrN2O — CID 63525805

IUPAC4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C17H27BrN2O/c1-5-20-11-12(18)10-15(20)16(21)19-14-9-7-6-8-13(14)17(2,3)4/h10-11,13-14H,5-9H2,1-4H3,(H,19,21)
InChIKeyAYZGSGMREYDYAQ-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.61
Rot. Bonds3

About 4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide

4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 63525805) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide
PubChem CID63525805
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C17H27BrN2O/c1-5-20-11-12(18)10-15(20)16(21)19-14-9-7-6-8-13(14)17(2,3)4/h10-11,13-14H,5-9H2,1-4H3,(H,19,21)
InChIKeyAYZGSGMREYDYAQ-UHFFFAOYSA-N
XLogP4.61
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.61
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-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-[(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-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide
CID 106012286
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-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide (CID 63525805) is 4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NC1CCCCC1C(C)(C)C.
What is the InChIKey of 4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is AYZGSGMREYDYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-5-20-11-12(18)10-15(20)16(21)19-14-9-7-6-8-13(14)17(2,3)4/h10-11,13-14H,5-9H2,1-4H3,(H,19,21).
What are the key properties of 4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide?
4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 4.61, 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-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 63525805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).