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

C19H16F3N3O3 — CID 9293615

IUPACN-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C19H16F3N3O3/c1-2-18(13-8-4-3-5-9-13)16(27)25(17(28)23-18)24-15(26)12-7-6-10-14(11-12)19(20,21)22/h3-11H,2H2,1H3,(H,23,28)(H,24,26)/t18-/m0/s1
InChIKeyRTXZYDVOVKIMFG-SFHVURJKSA-N
MW391.35 g/mol
LogP3.21
Rot. Bonds4

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

N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide (PubChem CID 9293615) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide
PubChem CID9293615
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC NameN-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C19H16F3N3O3/c1-2-18(13-8-4-3-5-9-13)16(27)25(17(28)23-18)24-15(26)12-7-6-10-14(11-12)19(20,21)22/h3-11H,2H2,1H3,(H,23,28)(H,24,26)/t18-/m0/s1
InChIKeyRTXZYDVOVKIMFG-SFHVURJKSA-N
XLogP3.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.21
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)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide
CID 9294715
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-phenoxybenzamide
CID 9293579
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide
CID 84861598
4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide
CID 9294657
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 24642473
5-ethyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylthiophene-2-carboxamide
CID 9294395
N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 24549178
3-cyclopentyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9293678
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-fluorophenoxy)acetamide
CID 9012529
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 24665083
2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 43012938
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289684

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide (CID 9293615) is N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide is CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is RTXZYDVOVKIMFG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-2-18(13-8-4-3-5-9-13)16(27)25(17(28)23-18)24-15(26)12-7-6-10-14(11-12)19(20,21)22/h3-11H,2H2,1H3,(H,23,28)(H,24,26)/t18-/m0/s1.
What are the key properties of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide?
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 391.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 9293615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).