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

C20H18F3N3O4 — CID 2969230

IUPACN-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C20H18F3N3O4/c1-30-15-10-6-5-9-14(15)16(27)24-19(20(21,22)23)17(28)26(18(29)25-19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,24,27)(H,25,29)
InChIKeyUQLRHHUWZDOZID-UHFFFAOYSA-N
MW421.38 g/mol
LogP2.48
Rot. Bonds6

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

N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide (PubChem CID 2969230) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
PubChem CID2969230
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC NameN-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C20H18F3N3O4/c1-30-15-10-6-5-9-14(15)16(27)24-19(20(21,22)23)17(28)26(18(29)25-19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,24,27)(H,25,29)
InChIKeyUQLRHHUWZDOZID-UHFFFAOYSA-N
XLogP2.48
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide?
The IUPAC name of N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide (CID 2969230) is N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O.
What is the InChIKey of N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide?
The InChIKey is UQLRHHUWZDOZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c1-30-15-10-6-5-9-14(15)16(27)24-19(20(21,22)23)17(28)26(18(29)25-19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide?
N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide has a molecular weight of 421.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 2969230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).