N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide

C19H14Cl2F3N3O3 — CID 46484652

IUPACN-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCC1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C19H14Cl2F3N3O3/c1-18(10-4-2-5-11(8-10)19(22,23)24)16(29)27(17(30)26-18)9-14(28)25-13-7-3-6-12(20)15(13)21/h2-8H,9H2,1H3,(H,25,28)(H,26,30)
InChIKeyKETWJDPLPXLEJE-UHFFFAOYSA-N
MW460.24 g/mol
LogP4.42
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide

N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (PubChem CID 46484652) has the molecular formula C19H14Cl2F3N3O3 and a molecular weight of 460.24 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
PubChem CID46484652
Molecular FormulaC19H14Cl2F3N3O3
Molecular Weight460.24 g/mol
Exact Mass459.04
IUPAC NameN-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCC1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C19H14Cl2F3N3O3/c1-18(10-4-2-5-11(8-10)19(22,23)24)16(29)27(17(30)26-18)9-14(28)25-13-7-3-6-12(20)15(13)21/h2-8H,9H2,1H3,(H,25,28)(H,26,30)
InChIKeyKETWJDPLPXLEJE-UHFFFAOYSA-N
XLogP4.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.24
LogP ≤ 54.42
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-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (CID 46484652) is N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is CC1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)C1=O.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The InChIKey is KETWJDPLPXLEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3N3O3/c1-18(10-4-2-5-11(8-10)19(22,23)24)16(29)27(17(30)26-18)9-14(28)25-13-7-3-6-12(20)15(13)21/h2-8H,9H2,1H3,(H,25,28)(H,26,30).
What are the key properties of N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide has a molecular weight of 460.24 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 46484652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).