1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one

C10H9BrClNO — CID 81273262

IUPAC1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cc(Cl)ccc1Br
InChIInChI=1S/C10H9BrClNO/c11-8-4-3-7(12)6-9(8)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2
InChIKeyLUNWQECJIBLUHL-UHFFFAOYSA-N
MW274.54 g/mol
LogP3.23
Rot. Bonds1

About 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one

1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one (PubChem CID 81273262) has the molecular formula C10H9BrClNO and a molecular weight of 274.54 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one
PubChem CID81273262
Molecular FormulaC10H9BrClNO
Molecular Weight274.54 g/mol
Exact Mass272.96
IUPAC Name1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cc(Cl)ccc1Br
InChIInChI=1S/C10H9BrClNO/c11-8-4-3-7(12)6-9(8)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2
InChIKeyLUNWQECJIBLUHL-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.54
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine
CID 81279925
1-(2-bromo-5-methylphenyl)piperidin-2-one
CID 82757768
5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid
CID 16772914
1-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolidin-2-one
CID 81275521
1-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]pyrrolidin-2-one
CID 81275790
[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamic acid
CID 68995698
1-(5-amino-2-bromo-4-methylphenyl)pyrrolidin-2-one
CID 104815334
1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 30739774
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-piperidin-1-ylbenzamide
CID 9083960
1-(2-bromo-4-chlorophenyl)azepane-2,7-dione
CID 81274115
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide
CID 9084885
1-(5-amino-2-fluorophenyl)pyrrolidin-2-one
CID 16771885

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one (CID 81273262) is 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one is O=C1CCCN1c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one?
The InChIKey is LUNWQECJIBLUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO/c11-8-4-3-7(12)6-9(8)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2.
What are the key properties of 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one?
1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one has a molecular weight of 274.54 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 81273262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).