4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide

C13H21BrN2O3 — CID 97228400

IUPAC4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide
SMILESCC(C)COC[C@H](O)CNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H21BrN2O3/c1-9(2)7-19-8-11(17)5-15-13(18)12-4-10(14)6-16(12)3/h4,6,9,11,17H,5,7-8H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeyHGYGWBNWHBWLOJ-LLVKDONJSA-N
MW333.23 g/mol
LogP1.55
Rot. Bonds7

About 4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide

4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide (PubChem CID 97228400) has the molecular formula C13H21BrN2O3 and a molecular weight of 333.23 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide
PubChem CID97228400
Molecular FormulaC13H21BrN2O3
Molecular Weight333.23 g/mol
Exact Mass332.07
IUPAC Name4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide
SMILESCC(C)COC[C@H](O)CNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H21BrN2O3/c1-9(2)7-19-8-11(17)5-15-13(18)12-4-10(14)6-16(12)3/h4,6,9,11,17H,5,7-8H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeyHGYGWBNWHBWLOJ-LLVKDONJSA-N
XLogP1.55
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063480
4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 63294689
2-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473753
4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide
CID 111697663
4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
CID 75381546
4-bromo-1-methyl-N-(4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 43641586
4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide
CID 43411143
4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide
CID 71986188
4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65111825
4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66175814
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(1-methylindol-3-yl)acetamide
CID 111662753
4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 79250303

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide (CID 97228400) is 4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide is CC(C)COC[C@H](O)CNC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is HGYGWBNWHBWLOJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21BrN2O3/c1-9(2)7-19-8-11(17)5-15-13(18)12-4-10(14)6-16(12)3/h4,6,9,11,17H,5,7-8H2,1-3H3,(H,15,18)/t11-/m1/s1.
What are the key properties of 4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide?
4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 333.23 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 97228400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).