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

C19H16F3N3O4 — CID 17388411

IUPAC4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2(C(F)(F)F)NC(=O)N(c3ccccc3C)C2=O)cc1
InChIInChI=1S/C19H16F3N3O4/c1-11-5-3-4-6-14(11)25-16(27)18(19(20,21)22,24-17(25)28)23-15(26)12-7-9-13(29-2)10-8-12/h3-10H,1-2H3,(H,23,26)(H,24,28)
InChIKeyLSCQFYJBACCZCJ-UHFFFAOYSA-N
MW407.35 g/mol
LogP2.75
Rot. Bonds4

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

4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (PubChem CID 17388411) has the molecular formula C19H16F3N3O4 and a molecular weight of 407.35 g/mol. Its IUPAC name is 4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
PubChem CID17388411
Molecular FormulaC19H16F3N3O4
Molecular Weight407.35 g/mol
Exact Mass407.11
IUPAC Name4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2(C(F)(F)F)NC(=O)N(c3ccccc3C)C2=O)cc1
InChIInChI=1S/C19H16F3N3O4/c1-11-5-3-4-6-14(11)25-16(27)18(19(20,21)22,24-17(25)28)23-15(26)12-7-9-13(29-2)10-8-12/h3-10H,1-2H3,(H,23,26)(H,24,28)
InChIKeyLSCQFYJBACCZCJ-UHFFFAOYSA-N
XLogP2.75
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
CID 41063050
N-[(4R)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-phenylacetamide
CID 40918112
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)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41062779
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
CID 3664545
N-[(4S)-1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 92651760
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 46500658
N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 4275035
N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
CID 2968794
4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 42559353
4-chloro-N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2041429

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (CID 17388411) is 4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is COc1ccc(C(=O)NC2(C(F)(F)F)NC(=O)N(c3ccccc3C)C2=O)cc1.
What is the InChIKey of 4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The InChIKey is LSCQFYJBACCZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4/c1-11-5-3-4-6-14(11)25-16(27)18(19(20,21)22,24-17(25)28)23-15(26)12-7-9-13(29-2)10-8-12/h3-10H,1-2H3,(H,23,26)(H,24,28).
What are the key properties of 4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide has a molecular weight of 407.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is sourced from PubChem (CID 17388411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).