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

C20H19Cl2N3O3 — CID 139551398

IUPAC2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide
SMILESCc1ccccc1NC(=O)N1C(=O)CCC1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H19Cl2N3O3/c1-12-4-2-3-5-16(12)24-20(28)25-17(8-9-18(25)26)19(27)23-11-13-6-7-14(21)10-15(13)22/h2-7,10,17H,8-9,11H2,1H3,(H,23,27)(H,24,28)
InChIKeyHTGAOXQYUMMTLH-UHFFFAOYSA-N
MW420.30 g/mol
LogP4.14
Rot. Bonds4

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

2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide (PubChem CID 139551398) has the molecular formula C20H19Cl2N3O3 and a molecular weight of 420.30 g/mol. Its IUPAC name is 2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide
PubChem CID139551398
Molecular FormulaC20H19Cl2N3O3
Molecular Weight420.30 g/mol
Exact Mass419.08
IUPAC Name2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide
SMILESCc1ccccc1NC(=O)N1C(=O)CCC1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H19Cl2N3O3/c1-12-4-2-3-5-16(12)24-20(28)25-17(8-9-18(25)26)19(27)23-11-13-6-7-14(21)10-15(13)22/h2-7,10,17H,8-9,11H2,1H3,(H,23,27)(H,24,28)
InChIKeyHTGAOXQYUMMTLH-UHFFFAOYSA-N
XLogP4.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide with MolForge

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Related Compounds

(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551537
N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 42642598
(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
(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 71454380
(2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide
CID 158402213
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide
CID 109006897
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 20968164
(2S)-N-(3,4-dichlorophenyl)-2-[4-(2,4-dichlorophenyl)butanoyl]-5-oxopyrrolidine-1-carboxamide
CID 159682007
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 71461570
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
(2S)-1-[(2-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 1477432

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide (CID 139551398) is 2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide is Cc1ccccc1NC(=O)N1C(=O)CCC1C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide?
The InChIKey is HTGAOXQYUMMTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3/c1-12-4-2-3-5-16(12)24-20(28)25-17(8-9-18(25)26)19(27)23-11-13-6-7-14(21)10-15(13)22/h2-7,10,17H,8-9,11H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide?
2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide has a molecular weight of 420.30 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 139551398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).