4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide

C11H17BrN2O2 — CID 115589400

IUPAC4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(C)COCCNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H17BrN2O2/c1-8(2)7-16-4-3-13-11(15)10-5-9(12)6-14-10/h5-6,8,14H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyOPLXUEUHDXJJFP-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.18
Rot. Bonds6

About 4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 115589400) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID115589400
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(C)COCCNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H17BrN2O2/c1-8(2)7-16-4-3-13-11(15)10-5-9(12)6-14-10/h5-6,8,14H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyOPLXUEUHDXJJFP-UHFFFAOYSA-N
XLogP2.18
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 18108948
5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533216
4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47356127
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 83120766
N-(3-aminopropyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 61249115
4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43601766
N-(4-amino-4-oxobutyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 47191038
4-bromo-N-(3-methylsulfonylpropyl)-1H-pyrrole-2-carboxamide
CID 55139504
4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide
CID 103658535
4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 65111935
4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide
CID 18121265
4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide
CID 63871118

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide (CID 115589400) is 4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide is CC(C)COCCNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is OPLXUEUHDXJJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-8(2)7-16-4-3-13-11(15)10-5-9(12)6-14-10/h5-6,8,14H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of 4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 289.17 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 115589400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).