N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C16H18ClN3O3 — CID 4779526

IUPACN-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1C(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C16H18ClN3O3/c1-9-3-6-11(17)7-12(9)18-13(21)8-20-14(22)16(2,10-4-5-10)19-15(20)23/h3,6-7,10H,4-5,8H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyZCNIJYLTXBJZNA-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.31
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 4779526) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID4779526
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1C(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C16H18ClN3O3/c1-9-3-6-11(17)7-12(9)18-13(21)8-20-14(22)16(2,10-4-5-10)19-15(20)23/h3,6-7,10H,4-5,8H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyZCNIJYLTXBJZNA-UHFFFAOYSA-N
XLogP2.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 4779526) is N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is Cc1ccc(Cl)cc1NC(=O)CN1C(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is ZCNIJYLTXBJZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-9-3-6-11(17)7-12(9)18-13(21)8-20-14(22)16(2,10-4-5-10)19-15(20)23/h3,6-7,10H,4-5,8H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 335.79 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 4779526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).