4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide

C16H23BrN2O — CID 64747843

IUPAC4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide
SMILESCCC1CCCC(NC(=O)c2cc(Br)cn2C2CC2)C1
InChIInChI=1S/C16H23BrN2O/c1-2-11-4-3-5-13(8-11)18-16(20)15-9-12(17)10-19(15)14-6-7-14/h9-11,13-14H,2-8H2,1H3,(H,18,20)
InChIKeyATAVFWWLLMPPNH-UHFFFAOYSA-N
MW339.28 g/mol
LogP4.28
Rot. Bonds4

About 4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide (PubChem CID 64747843) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide
PubChem CID64747843
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide
SMILESCCC1CCCC(NC(=O)c2cc(Br)cn2C2CC2)C1
InChIInChI=1S/C16H23BrN2O/c1-2-11-4-3-5-13(8-11)18-16(20)15-9-12(17)10-19(15)14-6-7-14/h9-11,13-14H,2-8H2,1H3,(H,18,20)
InChIKeyATAVFWWLLMPPNH-UHFFFAOYSA-N
XLogP4.28
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide
CID 43641450
4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide
CID 64734090
4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640968
N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 66187704
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60954815
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43640446
4-bromo-1-cyclopropyl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 62659546
4-bromo-1-cyclopropyl-N-(2-ethylsulfonylethyl)pyrrole-2-carboxamide
CID 114111098
4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide
CID 61244506
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 43640614
4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide
CID 115369289

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide (CID 64747843) is 4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide is CCC1CCCC(NC(=O)c2cc(Br)cn2C2CC2)C1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide?
The InChIKey is ATAVFWWLLMPPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-2-11-4-3-5-13(8-11)18-16(20)15-9-12(17)10-19(15)14-6-7-14/h9-11,13-14H,2-8H2,1H3,(H,18,20).
What are the key properties of 4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide is sourced from PubChem (CID 64747843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).