(5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one

C17H16Cl2N2O2 — CID 134844534

IUPAC(5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one
SMILESCOc1ccc(N[C@@H]2CCC(=O)N2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-23-13-5-3-12(4-6-13)20-16-8-9-17(22)21(16)15-7-2-11(18)10-14(15)19/h2-7,10,16,20H,8-9H2,1H3/t16-/m0/s1
InChIKeyQPDBPZCAYROSRI-INIZCTEOSA-N
MW351.23 g/mol
LogP4.57
Rot. Bonds4

About (5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one

(5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one (PubChem CID 134844534) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is (5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one
PubChem CID134844534
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name(5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one
SMILESCOc1ccc(N[C@@H]2CCC(=O)N2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-23-13-5-3-12(4-6-13)20-16-8-9-17(22)21(16)15-7-2-11(18)10-14(15)19/h2-7,10,16,20H,8-9H2,1H3/t16-/m0/s1
InChIKeyQPDBPZCAYROSRI-INIZCTEOSA-N
XLogP4.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one?
The IUPAC name of (5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one (CID 134844534) is (5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one is COc1ccc(N[C@@H]2CCC(=O)N2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one?
The InChIKey is QPDBPZCAYROSRI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-23-13-5-3-12(4-6-13)20-16-8-9-17(22)21(16)15-7-2-11(18)10-14(15)19/h2-7,10,16,20H,8-9H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one?
(5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one has a molecular weight of 351.23 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one is sourced from PubChem (CID 134844534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).