4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide

C15H14BrN3O2 — CID 18098119

IUPAC4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1cc(Br)c[nH]1
InChIInChI=1S/C15H14BrN3O2/c16-10-7-13(17-9-10)15(21)18-11-3-1-4-12(8-11)19-6-2-5-14(19)20/h1,3-4,7-9,17H,2,5-6H2,(H,18,21)
InChIKeyASUONTAZJATSJG-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.16
Rot. Bonds3

About 4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 18098119) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID18098119
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1cc(Br)c[nH]1
InChIInChI=1S/C15H14BrN3O2/c16-10-7-13(17-9-10)15(21)18-11-3-1-4-12(8-11)19-6-2-5-14(19)20/h1,3-4,7-9,17H,2,5-6H2,(H,18,21)
InChIKeyASUONTAZJATSJG-UHFFFAOYSA-N
XLogP3.16
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide (CID 18098119) is 4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide is O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ASUONTAZJATSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-10-7-13(17-9-10)15(21)18-11-3-1-4-12(8-11)19-6-2-5-14(19)20/h1,3-4,7-9,17H,2,5-6H2,(H,18,21).
What are the key properties of 4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18098119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).