(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide

C20H17Cl4N3O3 — CID 139551537

IUPAC(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H17Cl4N3O3/c21-13-3-1-11(15(23)7-13)9-25-19(29)17-5-6-18(28)27(17)20(30)26-10-12-2-4-14(22)8-16(12)24/h1-4,7-8,17H,5-6,9-10H2,(H,25,29)(H,26,30)/t17-/m0/s1
InChIKeyOHCHXCOEPPAEGT-KRWDZBQOSA-N
MW489.19 g/mol
LogP4.82
Rot. Bonds5

About (2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide

(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide (PubChem CID 139551537) has the molecular formula C20H17Cl4N3O3 and a molecular weight of 489.19 g/mol. Its IUPAC name is (2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
PubChem CID139551537
Molecular FormulaC20H17Cl4N3O3
Molecular Weight489.19 g/mol
Exact Mass487.00
IUPAC Name(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H17Cl4N3O3/c21-13-3-1-11(15(23)7-13)9-25-19(29)17-5-6-18(28)27(17)20(30)26-10-12-2-4-14(22)8-16(12)24/h1-4,7-8,17H,5-6,9-10H2,(H,25,29)(H,26,30)/t17-/m0/s1
InChIKeyOHCHXCOEPPAEGT-KRWDZBQOSA-N
XLogP4.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.19
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551398
(2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551721
N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 42642598
(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 71454380
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 20968164
(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 132530671
(2S)-N-(3,4-dichlorophenyl)-2-[4-(2,4-dichlorophenyl)butanoyl]-5-oxopyrrolidine-1-carboxamide
CID 159682007
1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 15923287
(2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide
CID 158402213
N-[(2,4-dichlorophenyl)methyl]-1-ethyl-4,4-dimethyl-5-oxopyrrolidine-2-carboxamide
CID 42641128
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
N-[(2,4-dichlorophenyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 84925742

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide (CID 139551537) is (2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide is O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide?
The InChIKey is OHCHXCOEPPAEGT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17Cl4N3O3/c21-13-3-1-11(15(23)7-13)9-25-19(29)17-5-6-18(28)27(17)20(30)26-10-12-2-4-14(22)8-16(12)24/h1-4,7-8,17H,5-6,9-10H2,(H,25,29)(H,26,30)/t17-/m0/s1.
What are the key properties of (2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide?
(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide has a molecular weight of 489.19 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 139551537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).