4-bromo-N,N,1-triethylpyrrole-2-carboxamide

C11H17BrN2O — CID 43640587

IUPAC4-bromo-N,N,1-triethylpyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(Br)cn1CC
InChIInChI=1S/C11H17BrN2O/c1-4-13(5-2)11(15)10-7-9(12)8-14(10)6-3/h7-8H,4-6H2,1-3H3
InChIKeyQPFFZGUITQCXME-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.75
Rot. Bonds4

About 4-bromo-N,N,1-triethylpyrrole-2-carboxamide

4-bromo-N,N,1-triethylpyrrole-2-carboxamide (PubChem CID 43640587) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-bromo-N,N,1-triethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N,N,1-triethylpyrrole-2-carboxamide
PubChem CID43640587
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name4-bromo-N,N,1-triethylpyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(Br)cn1CC
InChIInChI=1S/C11H17BrN2O/c1-4-13(5-2)11(15)10-7-9(12)8-14(10)6-3/h7-8H,4-6H2,1-3H3
InChIKeyQPFFZGUITQCXME-UHFFFAOYSA-N
XLogP2.75
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N,N-bis(cyanomethyl)-1-ethylpyrrole-2-carboxamide
CID 43640915
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802782
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide
CID 60955577
N-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide
CID 79668013
4-bromo-N-ethyl-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 113468701
4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 62728053
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 43432093
4-bromo-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83031512
4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 60955764
4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide
CID 43641393
4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641536

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N,1-triethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N,N,1-triethylpyrrole-2-carboxamide (CID 43640587) is 4-bromo-N,N,1-triethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N,N,1-triethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N,N,1-triethylpyrrole-2-carboxamide is CCN(CC)C(=O)c1cc(Br)cn1CC.
What is the InChIKey of 4-bromo-N,N,1-triethylpyrrole-2-carboxamide?
The InChIKey is QPFFZGUITQCXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-4-13(5-2)11(15)10-7-9(12)8-14(10)6-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-bromo-N,N,1-triethylpyrrole-2-carboxamide?
4-bromo-N,N,1-triethylpyrrole-2-carboxamide has a molecular weight of 273.17 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N,1-triethylpyrrole-2-carboxamide is sourced from PubChem (CID 43640587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).