N-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C17H18ClN3O4 — CID 2508282

IUPACN-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1Cl
InChIInChI=1S/C17H18ClN3O4/c1-10-6-7-11(8-13(10)18)19-14(22)9-20-15(23)16(24)21(17(20)25)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,19,22)
InChIKeyPCRIKRHRGCRXFK-UHFFFAOYSA-N
MW363.80 g/mol
LogP2.32
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 2508282) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID2508282
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1Cl
InChIInChI=1S/C17H18ClN3O4/c1-10-6-7-11(8-13(10)18)19-14(22)9-20-15(23)16(24)21(17(20)25)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,19,22)
InChIKeyPCRIKRHRGCRXFK-UHFFFAOYSA-N
XLogP2.32
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 2508282) is N-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is Cc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is PCRIKRHRGCRXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-10-6-7-11(8-13(10)18)19-14(22)9-20-15(23)16(24)21(17(20)25)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,19,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 363.80 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 2508282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).