4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide

C9H13BrN2O3 — CID 66171291

IUPAC4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
SMILESCC(O)(CO)CNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C9H13BrN2O3/c1-9(15,5-13)4-12-8(14)7-2-6(10)3-11-7/h2-3,11,13,15H,4-5H2,1H3,(H,12,14)
InChIKeyDOTQKZXMLZJEJV-UHFFFAOYSA-N
MW277.12 g/mol
LogP0.25
Rot. Bonds4

About 4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 66171291) has the molecular formula C9H13BrN2O3 and a molecular weight of 277.12 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID66171291
Molecular FormulaC9H13BrN2O3
Molecular Weight277.12 g/mol
Exact Mass276.01
IUPAC Name4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
SMILESCC(O)(CO)CNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C9H13BrN2O3/c1-9(15,5-13)4-12-8(14)7-2-6(10)3-11-7/h2-3,11,13,15H,4-5H2,1H3,(H,12,14)
InChIKeyDOTQKZXMLZJEJV-UHFFFAOYSA-N
XLogP0.25
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-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-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 65111935
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
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 66169145
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 83120766
4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47356127
4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001912
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
4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1-ethylpyrrole-2-carboxamide
CID 66170742

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide (CID 66171291) is 4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide is CC(O)(CO)CNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is DOTQKZXMLZJEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3/c1-9(15,5-13)4-12-8(14)7-2-6(10)3-11-7/h2-3,11,13,15H,4-5H2,1H3,(H,12,14).
What are the key properties of 4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 277.12 g/mol, XLogP of 0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 66171291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).