4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide

C11H17BrN2O — CID 43641486

IUPAC4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)cn1C)C(C)C
InChIInChI=1S/C11H17BrN2O/c1-5-14(8(2)3)11(15)10-6-9(12)7-13(10)4/h6-8H,5H2,1-4H3
InChIKeyQHRWOMPQBLKDAL-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.66
Rot. Bonds3

About 4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43641486) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
PubChem CID43641486
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)cn1C)C(C)C
InChIInChI=1S/C11H17BrN2O/c1-5-14(8(2)3)11(15)10-6-9(12)7-13(10)4/h6-8H,5H2,1-4H3
InChIKeyQHRWOMPQBLKDAL-UHFFFAOYSA-N
XLogP2.66
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 43432093
4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 61394689
4-bromo-N-(2-cyanopropyl)-N-ethyl-1-methylpyrrole-2-carboxamide
CID 54878056
3-[(4-bromo-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119189960
4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide
CID 60702158
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
CID 104851891
4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide
CID 60956424
2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid
CID 119202223
3-[(4-chloro-1-methylpyrrole-2-carbonyl)-ethylamino]butanoic acid
CID 55123329
4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide
CID 63693703
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-propan-2-ylamino]acetic acid
CID 60831562
4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide
CID 61470818

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide (CID 43641486) is 4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide is CCN(C(=O)c1cc(Br)cn1C)C(C)C.
What is the InChIKey of 4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is QHRWOMPQBLKDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-5-14(8(2)3)11(15)10-6-9(12)7-13(10)4/h6-8H,5H2,1-4H3.
What are the key properties of 4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 273.17 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43641486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).