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

C20H18F3N3O4 — CID 42578542

IUPACN-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@@]1(C(F)(F)F)NC(=O)N([C@@H](C)c2ccccc2)C1=O
InChIInChI=1S/C20H18F3N3O4/c1-12(13-8-4-3-5-9-13)26-17(28)19(20(21,22)23,25-18(26)29)24-16(27)14-10-6-7-11-15(14)30-2/h3-12H,1-2H3,(H,24,27)(H,25,29)/t12-,19+/m0/s1
InChIKeyHIOZOUCJQDOSFH-HXPMCKFVSA-N
MW421.38 g/mol
LogP3.00
Rot. Bonds5

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

N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide (PubChem CID 42578542) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
PubChem CID42578542
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC NameN-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@@]1(C(F)(F)F)NC(=O)N([C@@H](C)c2ccccc2)C1=O
InChIInChI=1S/C20H18F3N3O4/c1-12(13-8-4-3-5-9-13)26-17(28)19(20(21,22)23,25-18(26)29)24-16(27)14-10-6-7-11-15(14)30-2/h3-12H,1-2H3,(H,24,27)(H,25,29)/t12-,19+/m0/s1
InChIKeyHIOZOUCJQDOSFH-HXPMCKFVSA-N
XLogP3.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 53.00
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-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
CID 2304227
N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
CID 2968794
N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
CID 40936967
2-methoxy-N-[1-oxo-2-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-2-yl]benzamide
CID 135651286
N-[(4R)-2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide
CID 2066814
N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41062779
2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7472380
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2962074
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide
CID 2216992
N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide
CID 2002483
N'-(2,2-diphenylacetyl)-2-methoxybenzohydrazide
CID 1049928
N-[(3S)-4-acetyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-2-methoxybenzamide
CID 2242406

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide?
The IUPAC name of N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide (CID 42578542) is N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide is COc1ccccc1C(=O)N[C@@]1(C(F)(F)F)NC(=O)N([C@@H](C)c2ccccc2)C1=O.
What is the InChIKey of N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide?
The InChIKey is HIOZOUCJQDOSFH-HXPMCKFVSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c1-12(13-8-4-3-5-9-13)26-17(28)19(20(21,22)23,25-18(26)29)24-16(27)14-10-6-7-11-15(14)30-2/h3-12H,1-2H3,(H,24,27)(H,25,29)/t12-,19+/m0/s1.
What are the key properties of N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide?
N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide has a molecular weight of 421.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 42578542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).