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

C15H16F3N3O4 — CID 42581639

IUPACN-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
SMILESCCCC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(c2cccc(OC)c2)C1=O
InChIInChI=1S/C15H16F3N3O4/c1-3-5-11(22)19-14(15(16,17)18)12(23)21(13(24)20-14)9-6-4-7-10(8-9)25-2/h4,6-8H,3,5H2,1-2H3,(H,19,22)(H,20,24)/t14-/m1/s1
InChIKeyIJRSQNARSRGIER-CQSZACIVSA-N
MW359.30 g/mol
LogP1.93
Rot. Bonds5

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

N-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide (PubChem CID 42581639) has the molecular formula C15H16F3N3O4 and a molecular weight of 359.30 g/mol. Its IUPAC name is N-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
PubChem CID42581639
Molecular FormulaC15H16F3N3O4
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC NameN-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
SMILESCCCC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(c2cccc(OC)c2)C1=O
InChIInChI=1S/C15H16F3N3O4/c1-3-5-11(22)19-14(15(16,17)18)12(23)21(13(24)20-14)9-6-4-7-10(8-9)25-2/h4,6-8H,3,5H2,1-2H3,(H,19,22)(H,20,24)/t14-/m1/s1
InChIKeyIJRSQNARSRGIER-CQSZACIVSA-N
XLogP1.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 51.93
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-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
CID 3664545
N-[(4R)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-phenylacetamide
CID 40918112
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-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
CID 2968794
3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3815407
N-[(4S)-1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 92651760
N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 2021966
N-[(4S)-1-[(3,5-dimethoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 40964707
N-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
CID 41129844
N-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
CID 41129843
N-[(4R)-1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
CID 40946848

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide?
The IUPAC name of N-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide (CID 42581639) is N-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide.
What is the SMILES notation for N-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide?
The canonical SMILES for N-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide is CCCC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(c2cccc(OC)c2)C1=O.
What is the InChIKey of N-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide?
The InChIKey is IJRSQNARSRGIER-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16F3N3O4/c1-3-5-11(22)19-14(15(16,17)18)12(23)21(13(24)20-14)9-6-4-7-10(8-9)25-2/h4,6-8H,3,5H2,1-2H3,(H,19,22)(H,20,24)/t14-/m1/s1.
What are the key properties of N-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide?
N-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide has a molecular weight of 359.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide is sourced from PubChem (CID 42581639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).