4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

C19H15ClF3N3O3 — CID 5142884

IUPAC4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClF3N3O3/c20-14-8-6-13(7-9-14)15(27)24-18(19(21,22)23)16(28)26(17(29)25-18)11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,24,27)(H,25,29)
InChIKeyAWOKHADDRRTEOQ-UHFFFAOYSA-N
MW425.79 g/mol
LogP3.12
Rot. Bonds5

About 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (PubChem CID 5142884) has the molecular formula C19H15ClF3N3O3 and a molecular weight of 425.79 g/mol. Its IUPAC name is 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
PubChem CID5142884
Molecular FormulaC19H15ClF3N3O3
Molecular Weight425.79 g/mol
Exact Mass425.08
IUPAC Name4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClF3N3O3/c20-14-8-6-13(7-9-14)15(27)24-18(19(21,22)23)16(28)26(17(29)25-18)11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,24,27)(H,25,29)
InChIKeyAWOKHADDRRTEOQ-UHFFFAOYSA-N
XLogP3.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.79
LogP ≤ 53.12
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 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (CID 5142884) is 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is O=C(NC1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The InChIKey is AWOKHADDRRTEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O3/c20-14-8-6-13(7-9-14)15(27)24-18(19(21,22)23)16(28)26(17(29)25-18)11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,24,27)(H,25,29).
What are the key properties of 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide has a molecular weight of 425.79 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is sourced from PubChem (CID 5142884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).