N-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide

C20H18ClN3O4 — CID 25161951

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H18ClN3O4/c1-23(12-17(25)22-16-5-3-2-4-15(16)21)20(28)13-6-8-14(9-7-13)24-18(26)10-11-19(24)27/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyMXZPTIAZSSKHQY-UHFFFAOYSA-N
MW399.83 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide

N-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide (PubChem CID 25161951) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
PubChem CID25161951
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H18ClN3O4/c1-23(12-17(25)22-16-5-3-2-4-15(16)21)20(28)13-6-8-14(9-7-13)24-18(26)10-11-19(24)27/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyMXZPTIAZSSKHQY-UHFFFAOYSA-N
XLogP2.70
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 52.70
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-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide (CID 25161951) is N-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide?
The InChIKey is MXZPTIAZSSKHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-23(12-17(25)22-16-5-3-2-4-15(16)21)20(28)13-6-8-14(9-7-13)24-18(26)10-11-19(24)27/h2-9H,10-12H2,1H3,(H,22,25).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide has a molecular weight of 399.83 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide is sourced from PubChem (CID 25161951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).