5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one

C15H19BrFNO — CID 104687614

IUPAC5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1(Cc2cc(Br)ccc2F)CCC(=O)N1
InChIInChI=1S/C15H19BrFNO/c1-10(2)8-15(6-5-14(19)18-15)9-11-7-12(16)3-4-13(11)17/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyVLUXAJNGTDTFIA-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.83
Rot. Bonds4

About 5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one

5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 104687614) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is 5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID104687614
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC Name5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1(Cc2cc(Br)ccc2F)CCC(=O)N1
InChIInChI=1S/C15H19BrFNO/c1-10(2)8-15(6-5-14(19)18-15)9-11-7-12(16)3-4-13(11)17/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyVLUXAJNGTDTFIA-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one (CID 104687614) is 5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one is CC(C)CC1(Cc2cc(Br)ccc2F)CCC(=O)N1.
What is the InChIKey of 5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is VLUXAJNGTDTFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-10(2)8-15(6-5-14(19)18-15)9-11-7-12(16)3-4-13(11)17/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 328.23 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 104687614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).