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

C21H20F3N3O3 — CID 51951293

IUPACN-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3C(F)(F)F)C2=O)c1
InChIInChI=1S/C21H20F3N3O3/c1-3-13-7-6-8-14(11-13)25-17(28)12-27-18(29)20(2,26-19(27)30)15-9-4-5-10-16(15)21(22,23)24/h4-11H,3,12H2,1-2H3,(H,25,28)(H,26,30)/t20-/m1/s1
InChIKeyMQBIAMFVPOQILX-HXUWFJFHSA-N
MW419.40 g/mol
LogP3.67
Rot. Bonds5

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

N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (PubChem CID 51951293) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
PubChem CID51951293
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC NameN-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3C(F)(F)F)C2=O)c1
InChIInChI=1S/C21H20F3N3O3/c1-3-13-7-6-8-14(11-13)25-17(28)12-27-18(29)20(2,26-19(27)30)15-9-4-5-10-16(15)21(22,23)24/h4-11H,3,12H2,1-2H3,(H,25,28)(H,26,30)/t20-/m1/s1
InChIKeyMQBIAMFVPOQILX-HXUWFJFHSA-N
XLogP3.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 53.67
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-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (CID 51951293) is N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is CCc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3C(F)(F)F)C2=O)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The InChIKey is MQBIAMFVPOQILX-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-3-13-7-6-8-14(11-13)25-17(28)12-27-18(29)20(2,26-19(27)30)15-9-4-5-10-16(15)21(22,23)24/h4-11H,3,12H2,1-2H3,(H,25,28)(H,26,30)/t20-/m1/s1.
What are the key properties of N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide has a molecular weight of 419.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 51951293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).