2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

C15H15F4N3O3 — CID 7472380

IUPAC2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCC(C)CN1C(=O)N[C@@](NC(=O)c2ccccc2F)(C(F)(F)F)C1=O
InChIInChI=1S/C15H15F4N3O3/c1-8(2)7-22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)9-5-3-4-6-10(9)16/h3-6,8H,7H2,1-2H3,(H,20,23)(H,21,25)/t14-/m1/s1
InChIKeyDHYJNYNLZUGKQV-CQSZACIVSA-N
MW361.30 g/mol
LogP2.02
Rot. Bonds4

About 2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (PubChem CID 7472380) has the molecular formula C15H15F4N3O3 and a molecular weight of 361.30 g/mol. Its IUPAC name is 2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
PubChem CID7472380
Molecular FormulaC15H15F4N3O3
Molecular Weight361.30 g/mol
Exact Mass361.10
IUPAC Name2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCC(C)CN1C(=O)N[C@@](NC(=O)c2ccccc2F)(C(F)(F)F)C1=O
InChIInChI=1S/C15H15F4N3O3/c1-8(2)7-22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)9-5-3-4-6-10(9)16/h3-6,8H,7H2,1-2H3,(H,20,23)(H,21,25)/t14-/m1/s1
InChIKeyDHYJNYNLZUGKQV-CQSZACIVSA-N
XLogP2.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
CID 7013806
N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 7044498
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 3836618
2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7291568
N-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide
CID 4915963
N-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7632065
2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344697
2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3934217
2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
CID 2232250
N-[(4R)-2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide
CID 2066814
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide
CID 2216992
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(trifluoromethyl)benzamide
CID 2010336

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (CID 7472380) is 2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is CC(C)CN1C(=O)N[C@@](NC(=O)c2ccccc2F)(C(F)(F)F)C1=O.
What is the InChIKey of 2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The InChIKey is DHYJNYNLZUGKQV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15F4N3O3/c1-8(2)7-22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)9-5-3-4-6-10(9)16/h3-6,8H,7H2,1-2H3,(H,20,23)(H,21,25)/t14-/m1/s1.
What are the key properties of 2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide has a molecular weight of 361.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4R)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is sourced from PubChem (CID 7472380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).