N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide

C18H14F3N3O3 — CID 84861598

IUPACN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C18H14F3N3O3/c1-17(12-5-3-2-4-6-12)15(26)24(16(27)22-17)23-14(25)11-7-9-13(10-8-11)18(19,20)21/h2-10H,1H3,(H,22,27)(H,23,25)
InChIKeyFTIIDSLGJPTPKJ-UHFFFAOYSA-N
MW377.32 g/mol
LogP2.82
Rot. Bonds3

About N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide

N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide (PubChem CID 84861598) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide
PubChem CID84861598
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC NameN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C18H14F3N3O3/c1-17(12-5-3-2-4-6-12)15(26)24(16(27)22-17)23-14(25)11-7-9-13(10-8-11)18(19,20)21/h2-10H,1H3,(H,22,27)(H,23,25)
InChIKeyFTIIDSLGJPTPKJ-UHFFFAOYSA-N
XLogP2.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 52.82
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-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide (CID 84861598) is N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide is CC1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is FTIIDSLGJPTPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-17(12-5-3-2-4-6-12)15(26)24(16(27)22-17)23-14(25)11-7-9-13(10-8-11)18(19,20)21/h2-10H,1H3,(H,22,27)(H,23,25).
What are the key properties of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide?
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 377.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 84861598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).