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

C16H16F3N3O3 — CID 2304227

IUPACN-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
SMILESC[C@@H](c1ccccc1)N1C(=O)N[C@@](NC(=O)C2CC2)(C(F)(F)F)C1=O
InChIInChI=1S/C16H16F3N3O3/c1-9(10-5-3-2-4-6-10)22-13(24)15(16(17,18)19,21-14(22)25)20-12(23)11-7-8-11/h2-6,9,11H,7-8H2,1H3,(H,20,23)(H,21,25)/t9-,15+/m0/s1
InChIKeyJGRSKGANVBHOTE-BJOHPYRUSA-N
MW355.32 g/mol
LogP2.08
Rot. Bonds4

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

N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide (PubChem CID 2304227) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
PubChem CID2304227
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC NameN-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
SMILESC[C@@H](c1ccccc1)N1C(=O)N[C@@](NC(=O)C2CC2)(C(F)(F)F)C1=O
InChIInChI=1S/C16H16F3N3O3/c1-9(10-5-3-2-4-6-10)22-13(24)15(16(17,18)19,21-14(22)25)20-12(23)11-7-8-11/h2-6,9,11H,7-8H2,1H3,(H,20,23)(H,21,25)/t9-,15+/m0/s1
InChIKeyJGRSKGANVBHOTE-BJOHPYRUSA-N
XLogP2.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide (CID 2304227) is N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide is C[C@@H](c1ccccc1)N1C(=O)N[C@@](NC(=O)C2CC2)(C(F)(F)F)C1=O.
What is the InChIKey of N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The InChIKey is JGRSKGANVBHOTE-BJOHPYRUSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-9(10-5-3-2-4-6-10)22-13(24)15(16(17,18)19,21-14(22)25)20-12(23)11-7-8-11/h2-6,9,11H,7-8H2,1H3,(H,20,23)(H,21,25)/t9-,15+/m0/s1.
What are the key properties of N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide has a molecular weight of 355.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 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]cyclopropanecarboxamide is sourced from PubChem (CID 2304227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).