N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C20H18ClN3O3 — CID 11948908

IUPACN-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1Cl
InChIInChI=1S/C20H18ClN3O3/c1-12-6-7-14(10-16(12)21)22-17(25)11-24-18(26)20(23-19(24)27)9-8-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,27)
InChIKeyUNBNTCSOCFNAFJ-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.98
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 11948908) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
PubChem CID11948908
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1Cl
InChIInChI=1S/C20H18ClN3O3/c1-12-6-7-14(10-16(12)21)22-17(25)11-24-18(26)20(23-19(24)27)9-8-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,27)
InChIKeyUNBNTCSOCFNAFJ-UHFFFAOYSA-N
XLogP2.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.98
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-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 11948908) is N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is Cc1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is UNBNTCSOCFNAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-12-6-7-14(10-16(12)21)22-17(25)11-24-18(26)20(23-19(24)27)9-8-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,27).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 383.84 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 11948908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).