4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide

C10H15BrN2O2 — CID 79380607

IUPAC4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H15BrN2O2/c1-10(2,15)6-13(3)9(14)8-4-7(11)5-12-8/h4-5,12,15H,6H2,1-3H3
InChIKeyAABJTSZBEHFAOJ-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.62
Rot. Bonds3

About 4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide

4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 79380607) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID79380607
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H15BrN2O2/c1-10(2,15)6-13(3)9(14)8-4-7(11)5-12-8/h4-5,12,15H,6H2,1-3H3
InChIKeyAABJTSZBEHFAOJ-UHFFFAOYSA-N
XLogP1.62
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 79383796
4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 65111935
4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 47389226
4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide
CID 43410885
4-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 63274163
4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
CID 79004078
4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 61244501
4-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
CID 54878086
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide
CID 111831410
4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 66171291
4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 43411200
2-[2-[(4-bromo-1H-pyrrole-2-carbonyl)-methylamino]ethyl]benzoic acid
CID 104546873

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide (CID 79380607) is 4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide is CN(CC(C)(C)O)C(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is AABJTSZBEHFAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-10(2,15)6-13(3)9(14)8-4-7(11)5-12-8/h4-5,12,15H,6H2,1-3H3.
What are the key properties of 4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide?
4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 275.15 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 79380607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).