(4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one

C10H9BrClNO — CID 66724952

IUPAC(4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2ccc(Cl)c(Br)c2)CN1
InChIInChI=1S/C10H9BrClNO/c11-8-3-6(1-2-9(8)12)7-4-10(14)13-5-7/h1-3,7H,4-5H2,(H,13,14)/t7-/m0/s1
InChIKeyZAPLWYBJKHRKBQ-ZETCQYMHSA-N
MW274.55 g/mol
LogP2.71
Rot. Bonds1

About (4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one

(4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one (PubChem CID 66724952) has the molecular formula C10H9BrClNO and a molecular weight of 274.55 g/mol. Its IUPAC name is (4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one
PubChem CID66724952
Molecular FormulaC10H9BrClNO
Molecular Weight274.55 g/mol
Exact Mass272.96
IUPAC Name(4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2ccc(Cl)c(Br)c2)CN1
InChIInChI=1S/C10H9BrClNO/c11-8-3-6(1-2-9(8)12)7-4-10(14)13-5-7/h1-3,7H,4-5H2,(H,13,14)/t7-/m0/s1
InChIKeyZAPLWYBJKHRKBQ-ZETCQYMHSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one (CID 66724952) is (4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one is O=C1C[C@H](c2ccc(Cl)c(Br)c2)CN1.
What is the InChIKey of (4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one?
The InChIKey is ZAPLWYBJKHRKBQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9BrClNO/c11-8-3-6(1-2-9(8)12)7-4-10(14)13-5-7/h1-3,7H,4-5H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one?
(4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one has a molecular weight of 274.55 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-bromo-4-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 66724952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).