(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide

C17H13Cl3N2O2 — CID 40569551

IUPAC(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C17H13Cl3N2O2/c18-11-4-1-2-7-14(11)22-9-10(8-15(22)23)17(24)21-13-6-3-5-12(19)16(13)20/h1-7,10H,8-9H2,(H,21,24)/t10-/m0/s1
InChIKeyCCNSUXABUKSFOR-JTQLQIEISA-N
MW383.66 g/mol
LogP4.64
Rot. Bonds3

About (3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 40569551) has the molecular formula C17H13Cl3N2O2 and a molecular weight of 383.66 g/mol. Its IUPAC name is (3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID40569551
Molecular FormulaC17H13Cl3N2O2
Molecular Weight383.66 g/mol
Exact Mass382.00
IUPAC Name(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C17H13Cl3N2O2/c18-11-4-1-2-7-14(11)22-9-10(8-15(22)23)17(24)21-13-6-3-5-12(19)16(13)20/h1-7,10H,8-9H2,(H,21,24)/t10-/m0/s1
InChIKeyCCNSUXABUKSFOR-JTQLQIEISA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.66
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056525
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056265
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
1-(2-chlorophenyl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 112789630
1-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916579
(3R)-N-(2-acetylphenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 8891463
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191372
(3S)-1-(2-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35544399
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
(3R)-1-(2-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056440
(3R)-1-(2-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40976145

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 40569551) is (3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CCNSUXABUKSFOR-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13Cl3N2O2/c18-11-4-1-2-7-14(11)22-9-10(8-15(22)23)17(24)21-13-6-3-5-12(19)16(13)20/h1-7,10H,8-9H2,(H,21,24)/t10-/m0/s1.
What are the key properties of (3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 383.66 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40569551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).