N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C24H27ClN4O4 — CID 24979935

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CN1C(=O)NC(CC)(c2ccccc2)C1=O
InChIInChI=1S/C24H27ClN4O4/c1-4-24(17-9-7-6-8-10-17)22(32)29(23(33)27-24)15-21(31)28(5-2)14-20(30)26-19-13-18(25)12-11-16(19)3/h6-13H,4-5,14-15H2,1-3H3,(H,26,30)(H,27,33)
InChIKeyUYZDILIXTPLWGN-UHFFFAOYSA-N
MW470.96 g/mol
LogP3.29
Rot. Bonds8

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 24979935) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID24979935
Molecular FormulaC24H27ClN4O4
Molecular Weight470.96 g/mol
Exact Mass470.17
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CN1C(=O)NC(CC)(c2ccccc2)C1=O
InChIInChI=1S/C24H27ClN4O4/c1-4-24(17-9-7-6-8-10-17)22(32)29(23(33)27-24)15-21(31)28(5-2)14-20(30)26-19-13-18(25)12-11-16(19)3/h6-13H,4-5,14-15H2,1-3H3,(H,26,30)(H,27,33)
InChIKeyUYZDILIXTPLWGN-UHFFFAOYSA-N
XLogP3.29
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 24979935) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CN1C(=O)NC(CC)(c2ccccc2)C1=O.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is UYZDILIXTPLWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O4/c1-4-24(17-9-7-6-8-10-17)22(32)29(23(33)27-24)15-21(31)28(5-2)14-20(30)26-19-13-18(25)12-11-16(19)3/h6-13H,4-5,14-15H2,1-3H3,(H,26,30)(H,27,33).
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 470.96 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 24979935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).