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

C13H19BrN2O — CID 115661025

IUPAC4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)N(C)C1CCC1
InChIInChI=1S/C13H19BrN2O/c1-9(2)16-8-10(14)7-12(16)13(17)15(3)11-5-4-6-11/h7-9,11H,4-6H2,1-3H3
InChIKeyILTRDFHDPCYGHI-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.46
Rot. Bonds3

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

4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 115661025) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID115661025
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)N(C)C1CCC1
InChIInChI=1S/C13H19BrN2O/c1-9(2)16-8-10(14)7-12(16)13(17)15(3)11-5-4-6-11/h7-9,11H,4-6H2,1-3H3
InChIKeyILTRDFHDPCYGHI-UHFFFAOYSA-N
XLogP3.46
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 43643422
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid
CID 119203379
4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 60954917
4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60955722
4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 60807774
4-bromo-N-(2-cyanoethyl)-N-cyclopropyl-1-propan-2-ylpyrrole-2-carboxamide
CID 54916487
4-bromo-N-methyl-N-pentan-2-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 43641769
4-bromo-N-(4-hydroxyphenyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 43640162
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-propan-2-ylamino]acetic acid
CID 60831562
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62889680
4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 112754506
4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 60955272

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (CID 115661025) is 4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)N(C)C1CCC1.
What is the InChIKey of 4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is ILTRDFHDPCYGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(2)16-8-10(14)7-12(16)13(17)15(3)11-5-4-6-11/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 299.21 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 115661025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).