3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione

C9H8ClN3O2 — CID 107841937

IUPAC3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione
SMILESNc1ccc(N2C(=O)CNC2=O)cc1Cl
InChIInChI=1S/C9H8ClN3O2/c10-6-3-5(1-2-7(6)11)13-8(14)4-12-9(13)15/h1-3H,4,11H2,(H,12,15)
InChIKeyOORFUHCBKAHAOS-UHFFFAOYSA-N
MW225.64 g/mol
LogP0.98
Rot. Bonds1

About 3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione

3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 107841937) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione
PubChem CID107841937
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione
SMILESNc1ccc(N2C(=O)CNC2=O)cc1Cl
InChIInChI=1S/C9H8ClN3O2/c10-6-3-5(1-2-7(6)11)13-8(14)4-12-9(13)15/h1-3H,4,11H2,(H,12,15)
InChIKeyOORFUHCBKAHAOS-UHFFFAOYSA-N
XLogP0.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-3-chlorophenyl)piperazine-2,5-dione
CID 82513383
3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione
CID 107089494
3-(4-amino-3-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 82864829
3-(2,6-dichloro-4-pyridinyl)imidazolidine-2,4-dione
CID 142231712
3-(3-chloro-5-fluorophenyl)imidazolidine-2,4-dione
CID 107089493
3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione
CID 107842168
3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 11435994
3-(2-amino-4-methoxyphenyl)imidazolidine-2,4-dione
CID 107841907
2-chloro-4-(3-ethylazetidin-1-yl)aniline
CID 82864274
3-[4-(difluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 103935816
3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione
CID 114007866
3-chloro-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 39841814

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione (CID 107841937) is 3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione is Nc1ccc(N2C(=O)CNC2=O)cc1Cl.
What is the InChIKey of 3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione?
The InChIKey is OORFUHCBKAHAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c10-6-3-5(1-2-7(6)11)13-8(14)4-12-9(13)15/h1-3H,4,11H2,(H,12,15).
What are the key properties of 3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione?
3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 225.64 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 107841937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).