N-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

C23H26FN3O3 — CID 8625366

IUPACN-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccccc3F)C2=O)cc1
InChIInChI=1S/C23H26FN3O3/c1-15(2)16-8-10-18(11-9-16)23(3)21(29)27(22(30)26-23)14-20(28)25-13-12-17-6-4-5-7-19(17)24/h4-11,15H,12-14H2,1-3H3,(H,25,28)(H,26,30)/t23-/m0/s1
InChIKeyAORCPJAOVBBIQT-QHCPKHFHSA-N
MW411.48 g/mol
LogP3.08
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

N-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (PubChem CID 8625366) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
PubChem CID8625366
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccccc3F)C2=O)cc1
InChIInChI=1S/C23H26FN3O3/c1-15(2)16-8-10-18(11-9-16)23(3)21(29)27(22(30)26-23)14-20(28)25-13-12-17-6-4-5-7-19(17)24/h4-11,15H,12-14H2,1-3H3,(H,25,28)(H,26,30)/t23-/m0/s1
InChIKeyAORCPJAOVBBIQT-QHCPKHFHSA-N
XLogP3.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.08
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

(5S)-3-[(2-fluorophenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595704
N-[(2-fluorophenyl)methyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 18170358
N-(2,6-diethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595813
N-ethyl-2-[[2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetyl]amino]acetamide
CID 8625287
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7595825
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
N-(methylcarbamoyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 9453005
N-[2-(2-fluorophenyl)ethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51177061
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2703290
N-[(2S)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802579
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 94818608
2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 78509718

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (CID 8625366) is N-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccccc3F)C2=O)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The InChIKey is AORCPJAOVBBIQT-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-15(2)16-8-10-18(11-9-16)23(3)21(29)27(22(30)26-23)14-20(28)25-13-12-17-6-4-5-7-19(17)24/h4-11,15H,12-14H2,1-3H3,(H,25,28)(H,26,30)/t23-/m0/s1.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide has a molecular weight of 411.48 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 8625366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).