4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide

C11H17BrN2O2 — CID 64555951

IUPAC4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCCC(C)(CO)NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C11H17BrN2O2/c1-4-11(2,7-15)13-10(16)9-5-8(12)6-14(9)3/h5-6,15H,4,7H2,1-3H3,(H,13,16)
InChIKeyWGHJOBLBQNJLLP-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.68
Rot. Bonds4

About 4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 64555951) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide
PubChem CID64555951
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCCC(C)(CO)NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C11H17BrN2O2/c1-4-11(2,7-15)13-10(16)9-5-8(12)6-14(9)3/h5-6,15H,4,7H2,1-3H3,(H,13,16)
InChIKeyWGHJOBLBQNJLLP-UHFFFAOYSA-N
XLogP1.68
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-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

3-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 166224907
N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 63193827
N-[3-(aminomethyl)pentan-3-yl]-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119570119
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-phenylbutanoic acid
CID 119201669
4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65111825
4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide
CID 64557195
4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 115622756
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide
CID 64555976
4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 79250303
(2R)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063046
(2S)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063050
4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide
CID 64558356

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide (CID 64555951) is 4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide is CCC(C)(CO)NC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is WGHJOBLBQNJLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-4-11(2,7-15)13-10(16)9-5-8(12)6-14(9)3/h5-6,15H,4,7H2,1-3H3,(H,13,16).
What are the key properties of 4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 289.17 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 64555951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).