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

C13H14BrFN2O2 — CID 59303338

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)NCc1ccc(F)cc1Br
InChIInChI=1S/C13H14BrFN2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(15)6-10(8)14/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)
InChIKeyXHSFZGHSMQYGEO-UHFFFAOYSA-N
MW329.17 g/mol
LogP1.83
Rot. Bonds3

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

N-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 59303338) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID59303338
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)NCc1ccc(F)cc1Br
InChIInChI=1S/C13H14BrFN2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(15)6-10(8)14/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)
InChIKeyXHSFZGHSMQYGEO-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 59303338) is N-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CN1C(=O)CCC1C(=O)NCc1ccc(F)cc1Br.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XHSFZGHSMQYGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(15)6-10(8)14/h2-3,6,11H,4-5,7H2,1H3,(H,16,19).
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 329.17 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 59303338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).