N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide

C20H18F3N3O4 — CID 126457065

IUPACN-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
SMILESCOc1ccc(N2C(=O)NC(NC(=O)CCc3ccccc3)(C(F)(F)F)C2=O)cc1
InChIInChI=1S/C20H18F3N3O4/c1-30-15-10-8-14(9-11-15)26-17(28)19(20(21,22)23,25-18(26)29)24-16(27)12-7-13-5-3-2-4-6-13/h2-6,8-11H,7,12H2,1H3,(H,24,27)(H,25,29)
InChIKeyVBCZNKZPLFPJNT-UHFFFAOYSA-N
MW421.38 g/mol
LogP2.76
Rot. Bonds6

About N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide

N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide (PubChem CID 126457065) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
PubChem CID126457065
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC NameN-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
SMILESCOc1ccc(N2C(=O)NC(NC(=O)CCc3ccccc3)(C(F)(F)F)C2=O)cc1
InChIInChI=1S/C20H18F3N3O4/c1-30-15-10-8-14(9-11-15)26-17(28)19(20(21,22)23,25-18(26)29)24-16(27)12-7-13-5-3-2-4-6-13/h2-6,8-11H,7,12H2,1H3,(H,24,27)(H,25,29)
InChIKeyVBCZNKZPLFPJNT-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide (CID 126457065) is N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide is COc1ccc(N2C(=O)NC(NC(=O)CCc3ccccc3)(C(F)(F)F)C2=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide?
The InChIKey is VBCZNKZPLFPJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c1-30-15-10-8-14(9-11-15)26-17(28)19(20(21,22)23,25-18(26)29)24-16(27)12-7-13-5-3-2-4-6-13/h2-6,8-11H,7,12H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide?
N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide has a molecular weight of 421.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 126457065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).