2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one

C24H17Cl2F3N2O3 — CID 87721643

IUPAC2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESO=C1CNC(C(=O)CCl)(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H17Cl2F3N2O3/c25-13-21(32)23(15-2-1-3-16(12-15)24(27,28)29)30-14-22(33)31(23)18-6-10-20(11-7-18)34-19-8-4-17(26)5-9-19/h1-12,30H,13-14H2
InChIKeyYAFJCIUKSLELIC-UHFFFAOYSA-N
MW509.31 g/mol
LogP5.75
Rot. Bonds6

About 2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one

2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 87721643) has the molecular formula C24H17Cl2F3N2O3 and a molecular weight of 509.31 g/mol. Its IUPAC name is 2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID87721643
Molecular FormulaC24H17Cl2F3N2O3
Molecular Weight509.31 g/mol
Exact Mass508.06
IUPAC Name2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESO=C1CNC(C(=O)CCl)(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H17Cl2F3N2O3/c25-13-21(32)23(15-2-1-3-16(12-15)24(27,28)29)30-14-22(33)31(23)18-6-10-20(11-7-18)34-19-8-4-17(26)5-9-19/h1-12,30H,13-14H2
InChIKeyYAFJCIUKSLELIC-UHFFFAOYSA-N
XLogP5.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.31
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69047570
1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69048226
(5S)-1-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69044445
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
2-chloro-1-[4-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 174485792
(3S,5R)-1-[4-(4-chlorophenoxy)phenyl]-3-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 59485752
2-[3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 59486067
2-[4-(4-chlorophenoxy)phenyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone
CID 147840898
3-[4-(4-chlorophenoxy)phenyl]-5-[2-oxo-3-(propylamino)propyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 25073620
3-[4-(4-chlorophenoxy)phenyl]-1-(3-nitrosopropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702820
tert-butyl 2-[[2-[3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetyl]amino]acetate
CID 86645369
(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541246

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 87721643) is 2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is O=C1CNC(C(=O)CCl)(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is YAFJCIUKSLELIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F3N2O3/c25-13-21(32)23(15-2-1-3-16(12-15)24(27,28)29)30-14-22(33)31(23)18-6-10-20(11-7-18)34-19-8-4-17(26)5-9-19/h1-12,30H,13-14H2.
What are the key properties of 2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 509.31 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 87721643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).