4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

C19H15ClF3N3O3 — CID 3748507

IUPAC4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCc1ccc(N2C(=O)NC(NC(=O)c3ccc(Cl)cc3)(C(F)(F)F)C2=O)cc1C
InChIInChI=1S/C19H15ClF3N3O3/c1-10-3-8-14(9-11(10)2)26-16(28)18(19(21,22)23,25-17(26)29)24-15(27)12-4-6-13(20)7-5-12/h3-9H,1-2H3,(H,24,27)(H,25,29)
InChIKeyVZPBVPGWLMJGJU-UHFFFAOYSA-N
MW425.79 g/mol
LogP3.70
Rot. Bonds3

About 4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (PubChem CID 3748507) has the molecular formula C19H15ClF3N3O3 and a molecular weight of 425.79 g/mol. Its IUPAC name is 4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
PubChem CID3748507
Molecular FormulaC19H15ClF3N3O3
Molecular Weight425.79 g/mol
Exact Mass425.08
IUPAC Name4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCc1ccc(N2C(=O)NC(NC(=O)c3ccc(Cl)cc3)(C(F)(F)F)C2=O)cc1C
InChIInChI=1S/C19H15ClF3N3O3/c1-10-3-8-14(9-11(10)2)26-16(28)18(19(21,22)23,25-17(26)29)24-15(27)12-4-6-13(20)7-5-12/h3-9H,1-2H3,(H,24,27)(H,25,29)
InChIKeyVZPBVPGWLMJGJU-UHFFFAOYSA-N
XLogP3.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.79
LogP ≤ 53.70
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-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (CID 3748507) is 4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is Cc1ccc(N2C(=O)NC(NC(=O)c3ccc(Cl)cc3)(C(F)(F)F)C2=O)cc1C.
What is the InChIKey of 4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The InChIKey is VZPBVPGWLMJGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O3/c1-10-3-8-14(9-11(10)2)26-16(28)18(19(21,22)23,25-17(26)29)24-15(27)12-4-6-13(20)7-5-12/h3-9H,1-2H3,(H,24,27)(H,25,29).
What are the key properties of 4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide has a molecular weight of 425.79 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is sourced from PubChem (CID 3748507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).