1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione

C18H13Cl3F2N4O2 — CID 57229756

IUPAC1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione
SMILESCN1C(=O)C(=NC(Nc2ccc(F)cc2)C(Cl)(Cl)Cl)N(c2ccccc2F)C1=O
InChIInChI=1S/C18H13Cl3F2N4O2/c1-26-15(28)14(27(17(26)29)13-5-3-2-4-12(13)23)25-16(18(19,20)21)24-11-8-6-10(22)7-9-11/h2-9,16,24H,1H3
InChIKeyREPANLVLRARRHH-UHFFFAOYSA-N
MW461.68 g/mol
LogP4.57
Rot. Bonds4

About 1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione

1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione (PubChem CID 57229756) has the molecular formula C18H13Cl3F2N4O2 and a molecular weight of 461.68 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione
PubChem CID57229756
Molecular FormulaC18H13Cl3F2N4O2
Molecular Weight461.68 g/mol
Exact Mass460.01
IUPAC Name1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione
SMILESCN1C(=O)C(=NC(Nc2ccc(F)cc2)C(Cl)(Cl)Cl)N(c2ccccc2F)C1=O
InChIInChI=1S/C18H13Cl3F2N4O2/c1-26-15(28)14(27(17(26)29)13-5-3-2-4-12(13)23)25-16(18(19,20)21)24-11-8-6-10(22)7-9-11/h2-9,16,24H,1H3
InChIKeyREPANLVLRARRHH-UHFFFAOYSA-N
XLogP4.57
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.68
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione?
The IUPAC name of 1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione (CID 57229756) is 1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione?
The canonical SMILES for 1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione is CN1C(=O)C(=NC(Nc2ccc(F)cc2)C(Cl)(Cl)Cl)N(c2ccccc2F)C1=O.
What is the InChIKey of 1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione?
The InChIKey is REPANLVLRARRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3F2N4O2/c1-26-15(28)14(27(17(26)29)13-5-3-2-4-12(13)23)25-16(18(19,20)21)24-11-8-6-10(22)7-9-11/h2-9,16,24H,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione?
1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione has a molecular weight of 461.68 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-methyl-5-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]iminoimidazolidine-2,4-dione is sourced from PubChem (CID 57229756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).