(2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one

C21H18Cl2FNO3 — CID 124680315

IUPAC(2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2F)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl2FNO3/c1-21(2,3)19(27)15-17(11-7-9-12(22)10-8-11)25(20(28)18(15)26)14-6-4-5-13(23)16(14)24/h4-10,17,26H,1-3H3/t17-/m1/s1
InChIKeyMPLYEUVCKRYISV-QGZVFWFLSA-N
MW422.28 g/mol
LogP5.65
Rot. Bonds3

About (2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one

(2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 124680315) has the molecular formula C21H18Cl2FNO3 and a molecular weight of 422.28 g/mol. Its IUPAC name is (2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID124680315
Molecular FormulaC21H18Cl2FNO3
Molecular Weight422.28 g/mol
Exact Mass421.06
IUPAC Name(2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2F)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl2FNO3/c1-21(2,3)19(27)15-17(11-7-9-12(22)10-8-11)25(20(28)18(15)26)14-6-4-5-13(23)16(14)24/h4-10,17,26H,1-3H3/t17-/m1/s1
InChIKeyMPLYEUVCKRYISV-QGZVFWFLSA-N
XLogP5.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.28
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of (2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one (CID 124680315) is (2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for (2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one is CC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2F)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is MPLYEUVCKRYISV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H18Cl2FNO3/c1-21(2,3)19(27)15-17(11-7-9-12(22)10-8-11)25(20(28)18(15)26)14-6-4-5-13(23)16(14)24/h4-10,17,26H,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one?
(2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 422.28 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 124680315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).