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

C9H13BrN2O2 — CID 65111935

IUPAC4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C9H13BrN2O2/c1-9(2,14)5-12-8(13)7-3-6(10)4-11-7/h3-4,11,14H,5H2,1-2H3,(H,12,13)
InChIKeyFXLIKUMUHXPCHI-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.28
Rot. Bonds3

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

4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 65111935) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID65111935
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C9H13BrN2O2/c1-9(2,14)5-12-8(13)7-3-6(10)4-11-7/h3-4,11,14H,5H2,1-2H3,(H,12,13)
InChIKeyFXLIKUMUHXPCHI-UHFFFAOYSA-N
XLogP1.28
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 66171291
4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide
CID 103712976
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide
CID 103825097
tert-butyl N-(4-bromo-1H-pyrrole-2-carbonyl)carbamate
CID 102470068
4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47356127
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 83120766
N-(3-aminopropyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 61249115
4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 79380607
4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43601766
N-(4-amino-4-oxobutyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 47191038
4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide
CID 103737365
4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide
CID 115637079

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide (CID 65111935) is 4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide is CC(C)(O)CNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is FXLIKUMUHXPCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-9(2,14)5-12-8(13)7-3-6(10)4-11-7/h3-4,11,14H,5H2,1-2H3,(H,12,13).
What are the key properties of 4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 261.12 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 65111935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).