N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C22H19F6N3O3 — CID 39950257

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C22H19F6N3O3/c1-3-20(13-6-4-12(2)5-7-13)18(33)31(19(34)30-20)11-17(32)29-16-9-14(21(23,24)25)8-15(10-16)22(26,27)28/h4-10H,3,11H2,1-2H3,(H,29,32)(H,30,34)/t20-/m1/s1
InChIKeyHYMNGKHPISTZMA-HXUWFJFHSA-N
MW487.40 g/mol
LogP4.83
Rot. Bonds5

About N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 39950257) has the molecular formula C22H19F6N3O3 and a molecular weight of 487.40 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID39950257
Molecular FormulaC22H19F6N3O3
Molecular Weight487.40 g/mol
Exact Mass487.13
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C22H19F6N3O3/c1-3-20(13-6-4-12(2)5-7-13)18(33)31(19(34)30-20)11-17(32)29-16-9-14(21(23,24)25)8-15(10-16)22(26,27)28/h4-10H,3,11H2,1-2H3,(H,29,32)(H,30,34)/t20-/m1/s1
InChIKeyHYMNGKHPISTZMA-HXUWFJFHSA-N
XLogP4.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.40
LogP ≤ 54.83
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-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2491833
N-(2,4-dimethylphenyl)-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7264774
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2459919
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 42964377
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide
CID 4804766
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 40942610
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17460120
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
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-fluoro-4-methylphenyl)acetamide
CID 16545970
N-benzyl-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26010815
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 42969912

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 39950257) is N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is HYMNGKHPISTZMA-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19F6N3O3/c1-3-20(13-6-4-12(2)5-7-13)18(33)31(19(34)30-20)11-17(32)29-16-9-14(21(23,24)25)8-15(10-16)22(26,27)28/h4-10H,3,11H2,1-2H3,(H,29,32)(H,30,34)/t20-/m1/s1.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 487.40 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 39950257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).