2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide

C19H16F3N3O3 — CID 2582755

IUPAC2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O
InChIInChI=1S/C19H16F3N3O3/c1-2-19(11-6-4-3-5-7-11)17(27)25(18(28)24-19)10-14(26)23-13-9-8-12(20)15(21)16(13)22/h3-9H,2,10H2,1H3,(H,23,26)(H,24,28)/t19-/m0/s1
InChIKeyNRIQANWNOXKDDG-IBGZPJMESA-N
MW391.35 g/mol
LogP2.90
Rot. Bonds5

About 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide

2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2582755) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2582755
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O
InChIInChI=1S/C19H16F3N3O3/c1-2-19(11-6-4-3-5-7-11)17(27)25(18(28)24-19)10-14(26)23-13-9-8-12(20)15(21)16(13)22/h3-9H,2,10H2,1H3,(H,23,26)(H,24,28)/t19-/m0/s1
InChIKeyNRIQANWNOXKDDG-IBGZPJMESA-N
XLogP2.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 16545970
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25352322
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41209043
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7242671
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methylsulfonylphenyl)acetamide
CID 55411899
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41208231
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4810291
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 4664278
methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate
CID 16549652
methyl 3-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4-methylbenzoate
CID 16550511

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide (CID 2582755) is 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide is CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O.
What is the InChIKey of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is NRIQANWNOXKDDG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-2-19(11-6-4-3-5-7-11)17(27)25(18(28)24-19)10-14(26)23-13-9-8-12(20)15(21)16(13)22/h3-9H,2,10H2,1H3,(H,23,26)(H,24,28)/t19-/m0/s1.
What are the key properties of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 391.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2582755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).