2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide

C13H15BrFN3O2 — CID 71990887

IUPAC2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide
SMILESCN1CCC(NC(C(N)=O)c2ccc(Br)cc2F)C1=O
InChIInChI=1S/C13H15BrFN3O2/c1-18-5-4-10(13(18)20)17-11(12(16)19)8-3-2-7(14)6-9(8)15/h2-3,6,10-11,17H,4-5H2,1H3,(H2,16,19)
InChIKeyPLWIIUHWRAPJMG-UHFFFAOYSA-N
MW344.18 g/mol
LogP0.93
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide

2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide (PubChem CID 71990887) has the molecular formula C13H15BrFN3O2 and a molecular weight of 344.18 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide
PubChem CID71990887
Molecular FormulaC13H15BrFN3O2
Molecular Weight344.18 g/mol
Exact Mass343.03
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide
SMILESCN1CCC(NC(C(N)=O)c2ccc(Br)cc2F)C1=O
InChIInChI=1S/C13H15BrFN3O2/c1-18-5-4-10(13(18)20)17-11(12(16)19)8-3-2-7(14)6-9(8)15/h2-3,6,10-11,17H,4-5H2,1H3,(H2,16,19)
InChIKeyPLWIIUHWRAPJMG-UHFFFAOYSA-N
XLogP0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide (CID 71990887) is 2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide is CN1CCC(NC(C(N)=O)c2ccc(Br)cc2F)C1=O.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide?
The InChIKey is PLWIIUHWRAPJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3O2/c1-18-5-4-10(13(18)20)17-11(12(16)19)8-3-2-7(14)6-9(8)15/h2-3,6,10-11,17H,4-5H2,1H3,(H2,16,19).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide?
2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide has a molecular weight of 344.18 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 71990887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).