(3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one

C16H12Cl3NO2 — CID 69499318

IUPAC(3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one
SMILESO=C1[C@@H](O)C[C@@H](c2cccc(Cl)c2Cl)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl3NO2/c17-9-4-6-10(7-5-9)20-13(8-14(21)16(20)22)11-2-1-3-12(18)15(11)19/h1-7,13-14,21H,8H2/t13-,14-/m0/s1
InChIKeyXZPVYXASHVPVEC-KBPBESRZSA-N
MW356.64 g/mol
LogP4.49
Rot. Bonds2

About (3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one

(3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one (PubChem CID 69499318) has the molecular formula C16H12Cl3NO2 and a molecular weight of 356.64 g/mol. Its IUPAC name is (3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one
PubChem CID69499318
Molecular FormulaC16H12Cl3NO2
Molecular Weight356.64 g/mol
Exact Mass354.99
IUPAC Name(3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one
SMILESO=C1[C@@H](O)C[C@@H](c2cccc(Cl)c2Cl)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl3NO2/c17-9-4-6-10(7-5-9)20-13(8-14(21)16(20)22)11-2-1-3-12(18)15(11)19/h1-7,13-14,21H,8H2/t13-,14-/m0/s1
InChIKeyXZPVYXASHVPVEC-KBPBESRZSA-N
XLogP4.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.64
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one?
The IUPAC name of (3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one (CID 69499318) is (3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for (3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one?
The canonical SMILES for (3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one is O=C1[C@@H](O)C[C@@H](c2cccc(Cl)c2Cl)N1c1ccc(Cl)cc1.
What is the InChIKey of (3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one?
The InChIKey is XZPVYXASHVPVEC-KBPBESRZSA-N. The full InChI is InChI=1S/C16H12Cl3NO2/c17-9-4-6-10(7-5-9)20-13(8-14(21)16(20)22)11-2-1-3-12(18)15(11)19/h1-7,13-14,21H,8H2/t13-,14-/m0/s1.
What are the key properties of (3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one?
(3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one has a molecular weight of 356.64 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 69499318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).