N-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C13H14BrFN2O2 — CID 56786678

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCc2ccc(Br)cc2F)CC1=O
InChIInChI=1S/C13H14BrFN2O2/c1-17-7-9(4-12(17)18)13(19)16-6-8-2-3-10(14)5-11(8)15/h2-3,5,9H,4,6-7H2,1H3,(H,16,19)
InChIKeyMWMZSVJSIVXDTB-UHFFFAOYSA-N
MW329.17 g/mol
LogP1.68
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 56786678) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID56786678
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCc2ccc(Br)cc2F)CC1=O
InChIInChI=1S/C13H14BrFN2O2/c1-17-7-9(4-12(17)18)13(19)16-6-8-2-3-10(14)5-11(8)15/h2-3,5,9H,4,6-7H2,1H3,(H,16,19)
InChIKeyMWMZSVJSIVXDTB-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 56786678) is N-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCc2ccc(Br)cc2F)CC1=O.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MWMZSVJSIVXDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c1-17-7-9(4-12(17)18)13(19)16-6-8-2-3-10(14)5-11(8)15/h2-3,5,9H,4,6-7H2,1H3,(H,16,19).
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 329.17 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 56786678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).