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

C11H17BrN2O2 — CID 103712976

IUPAC4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H17BrN2O2/c1-3-4-11(2,16)7-14-10(15)9-5-8(12)6-13-9/h5-6,13,16H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyQTRXHIQPRXKPRJ-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.06
Rot. Bonds5

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

4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide (PubChem CID 103712976) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide
PubChem CID103712976
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H17BrN2O2/c1-3-4-11(2,16)7-14-10(15)9-5-8(12)6-13-9/h5-6,13,16H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyQTRXHIQPRXKPRJ-UHFFFAOYSA-N
XLogP2.06
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.06
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-methylpropyl)-1H-pyrrole-2-carboxamide
CID 65111935
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide
CID 103825097
N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718353
methyl 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-2-methylpentanoate
CID 43623906
3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 106289286
4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43601766
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide
CID 103658535
3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide
CID 106289346
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide (CID 103712976) is 4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide is CCCC(C)(O)CNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide?
The InChIKey is QTRXHIQPRXKPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-3-4-11(2,16)7-14-10(15)9-5-8(12)6-13-9/h5-6,13,16H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide has a molecular weight of 289.17 g/mol, XLogP of 2.06, 5 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-methylpentyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 103712976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).