2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C20H18F3N3O3 — CID 2436780

IUPAC2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O3/c21-20(22,23)14-7-4-8-15(11-14)24-17(27)12-26-18(28)16(25-19(26)29)10-9-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2,(H,24,27)(H,25,29)/t16-/m1/s1
InChIKeyODJBUDKTMWAOSC-MRXNPFEDSA-N
MW405.38 g/mol
LogP3.20
Rot. Bonds6

About 2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2436780) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2436780
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC Name2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O3/c21-20(22,23)14-7-4-8-15(11-14)24-17(27)12-26-18(28)16(25-19(26)29)10-9-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2,(H,24,27)(H,25,29)/t16-/m1/s1
InChIKeyODJBUDKTMWAOSC-MRXNPFEDSA-N
XLogP3.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.20
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

2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2704225
3-[[2-[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26007772
N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2704027
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 41114557
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 17447614
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2597901
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 41273751
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7916993
N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703899
N-(2-chlorophenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703995
N-(2-tert-butylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703909
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 2598023

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2436780) is 2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ODJBUDKTMWAOSC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c21-20(22,23)14-7-4-8-15(11-14)24-17(27)12-26-18(28)16(25-19(26)29)10-9-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2,(H,24,27)(H,25,29)/t16-/m1/s1.
What are the key properties of 2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 405.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2436780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).