N-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide

C19H16Cl3N3O3 — CID 42935027

IUPACN-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C19H16Cl3N3O3/c1-24(10-17(26)23-15-5-3-2-4-13(15)21)16-9-18(27)25(19(16)28)11-6-7-12(20)14(22)8-11/h2-8,16H,9-10H2,1H3,(H,23,26)
InChIKeyVVWBDVGHMKVAQH-UHFFFAOYSA-N
MW440.71 g/mol
LogP3.85
Rot. Bonds5

About N-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide

N-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide (PubChem CID 42935027) has the molecular formula C19H16Cl3N3O3 and a molecular weight of 440.71 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
PubChem CID42935027
Molecular FormulaC19H16Cl3N3O3
Molecular Weight440.71 g/mol
Exact Mass439.03
IUPAC NameN-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C19H16Cl3N3O3/c1-24(10-17(26)23-15-5-3-2-4-13(15)21)16-9-18(27)25(19(16)28)11-6-7-12(20)14(22)8-11/h2-8,16H,9-10H2,1H3,(H,23,26)
InChIKeyVVWBDVGHMKVAQH-UHFFFAOYSA-N
XLogP3.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.71
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide (CID 42935027) is N-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide is CN(CC(=O)Nc1ccccc1Cl)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of N-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide?
The InChIKey is VVWBDVGHMKVAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N3O3/c1-24(10-17(26)23-15-5-3-2-4-13(15)21)16-9-18(27)25(19(16)28)11-6-7-12(20)14(22)8-11/h2-8,16H,9-10H2,1H3,(H,23,26).
What are the key properties of N-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide has a molecular weight of 440.71 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide is sourced from PubChem (CID 42935027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).