N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide

C18H13ClF3N3O3 — CID 3383369

IUPACN-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(C(F)(F)F)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C18H13ClF3N3O3/c1-10-2-4-11(5-3-10)14(26)23-17(18(20,21)22)15(27)25(16(28)24-17)13-8-6-12(19)7-9-13/h2-9H,1H3,(H,23,26)(H,24,28)
InChIKeyJAWRYUBEIYOGCW-UHFFFAOYSA-N
MW411.77 g/mol
LogP3.39
Rot. Bonds3

About N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide

N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide (PubChem CID 3383369) has the molecular formula C18H13ClF3N3O3 and a molecular weight of 411.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide
PubChem CID3383369
Molecular FormulaC18H13ClF3N3O3
Molecular Weight411.77 g/mol
Exact Mass411.06
IUPAC NameN-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(C(F)(F)F)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C18H13ClF3N3O3/c1-10-2-4-11(5-3-10)14(26)23-17(18(20,21)22)15(27)25(16(28)24-17)13-8-6-12(19)7-9-13/h2-9H,1H3,(H,23,26)(H,24,28)
InChIKeyJAWRYUBEIYOGCW-UHFFFAOYSA-N
XLogP3.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.77
LogP ≤ 53.39
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-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide (CID 3383369) is N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2(C(F)(F)F)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide?
The InChIKey is JAWRYUBEIYOGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O3/c1-10-2-4-11(5-3-10)14(26)23-17(18(20,21)22)15(27)25(16(28)24-17)13-8-6-12(19)7-9-13/h2-9H,1H3,(H,23,26)(H,24,28).
What are the key properties of N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide?
N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide has a molecular weight of 411.77 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 3383369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).