4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide

C11H15BrN2O3 — CID 103800559

IUPAC4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC1(C)OCC(CNC(=O)c2cc(Br)c[nH]2)O1
InChIInChI=1S/C11H15BrN2O3/c1-11(2)16-6-8(17-11)5-14-10(15)9-3-7(12)4-13-9/h3-4,8,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyGCGREUAIFMCLQR-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.66
Rot. Bonds3

About 4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 103800559) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID103800559
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC1(C)OCC(CNC(=O)c2cc(Br)c[nH]2)O1
InChIInChI=1S/C11H15BrN2O3/c1-11(2)16-6-8(17-11)5-14-10(15)9-3-7(12)4-13-9/h3-4,8,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyGCGREUAIFMCLQR-UHFFFAOYSA-N
XLogP1.66
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
CID 103800461
3-bromo-5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103827212
6-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide
CID 113351467
4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide
CID 107390208
1-(4-bromo-2,6-dimethylphenyl)-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]urea
CID 3670010
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 103762598
4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 93318154
4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103762524
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide
CID 103762608
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylbenzamide
CID 113264578
6-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-3-carboxamide
CID 103800512
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-iodobenzamide
CID 44756377

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide (CID 103800559) is 4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide is CC1(C)OCC(CNC(=O)c2cc(Br)c[nH]2)O1.
What is the InChIKey of 4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is GCGREUAIFMCLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-11(2)16-6-8(17-11)5-14-10(15)9-3-7(12)4-13-9/h3-4,8,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 303.16 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 103800559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).