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

C20H18F3N3O5 — CID 3815407

IUPAC3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCOc1ccc(CN2C(=O)NC(NC(=O)c3cccc(OC)c3)(C(F)(F)F)C2=O)cc1
InChIInChI=1S/C20H18F3N3O5/c1-30-14-8-6-12(7-9-14)11-26-17(28)19(20(21,22)23,25-18(26)29)24-16(27)13-4-3-5-15(10-13)31-2/h3-10H,11H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyJECNJRRXHPHOFV-UHFFFAOYSA-N
MW437.37 g/mol
LogP2.44
Rot. Bonds6

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

3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (PubChem CID 3815407) has the molecular formula C20H18F3N3O5 and a molecular weight of 437.37 g/mol. Its IUPAC name is 3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
PubChem CID3815407
Molecular FormulaC20H18F3N3O5
Molecular Weight437.37 g/mol
Exact Mass437.12
IUPAC Name3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCOc1ccc(CN2C(=O)NC(NC(=O)c3cccc(OC)c3)(C(F)(F)F)C2=O)cc1
InChIInChI=1S/C20H18F3N3O5/c1-30-14-8-6-12(7-9-14)11-26-17(28)19(20(21,22)23,25-18(26)29)24-16(27)13-4-3-5-15(10-13)31-2/h3-10H,11H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyJECNJRRXHPHOFV-UHFFFAOYSA-N
XLogP2.44
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
CID 41129843
N-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
CID 41129844
N-[(4S)-1-[(3,5-dimethoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 40964707
3,4-dimethoxy-N-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2065636
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
CID 3664545
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(trifluoromethyl)benzamide
CID 2010336
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide
CID 2216992
N-[(4R)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41064341
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
CID 7044627
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 3836618
N-[(4S)-1-[(2,3-dimethoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(trifluoromethyl)benzamide
CID 2024553
N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 4904947

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (CID 3815407) is 3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is COc1ccc(CN2C(=O)NC(NC(=O)c3cccc(OC)c3)(C(F)(F)F)C2=O)cc1.
What is the InChIKey of 3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The InChIKey is JECNJRRXHPHOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O5/c1-30-14-8-6-12(7-9-14)11-26-17(28)19(20(21,22)23,25-18(26)29)24-16(27)13-4-3-5-15(10-13)31-2/h3-10H,11H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of 3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide has a molecular weight of 437.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is sourced from PubChem (CID 3815407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).