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

C18H13F4N3O4 — CID 3664545

IUPACN-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2(C(F)(F)F)NC(=O)N(c3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C18H13F4N3O4/c1-29-13-4-2-3-10(9-13)14(26)23-17(18(20,21)22)15(27)25(16(28)24-17)12-7-5-11(19)6-8-12/h2-9H,1H3,(H,23,26)(H,24,28)
InChIKeyIOLWDDWAWPTDIT-UHFFFAOYSA-N
MW411.31 g/mol
LogP2.58
Rot. Bonds4

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

N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide (PubChem CID 3664545) has the molecular formula C18H13F4N3O4 and a molecular weight of 411.31 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
PubChem CID3664545
Molecular FormulaC18H13F4N3O4
Molecular Weight411.31 g/mol
Exact Mass411.08
IUPAC NameN-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2(C(F)(F)F)NC(=O)N(c3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C18H13F4N3O4/c1-29-13-4-2-3-10(9-13)14(26)23-17(18(20,21)22)15(27)25(16(28)24-17)12-7-5-11(19)6-8-12/h2-9H,1H3,(H,23,26)(H,24,28)
InChIKeyIOLWDDWAWPTDIT-UHFFFAOYSA-N
XLogP2.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
CID 41063050
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 46500658
N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41062779
N-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
CID 42581639
3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3815407
N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 4275035
N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 28947474
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
CID 2001470
N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2043412
N-[(4S)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
CID 2217182
N-[(4R)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-phenylacetamide
CID 40918112
N-[(4S)-1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 92651760

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide (CID 3664545) is N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2(C(F)(F)F)NC(=O)N(c3ccc(F)cc3)C2=O)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide?
The InChIKey is IOLWDDWAWPTDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O4/c1-29-13-4-2-3-10(9-13)14(26)23-17(18(20,21)22)15(27)25(16(28)24-17)12-7-5-11(19)6-8-12/h2-9H,1H3,(H,23,26)(H,24,28).
What are the key properties of N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide?
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide has a molecular weight of 411.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 3664545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).