2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide

C21H30FN3O3 — CID 8571329

IUPAC2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)CCCC(C)C)C1=O
InChIInChI=1S/C21H30FN3O3/c1-5-21(16-9-11-17(22)12-10-16)19(27)25(20(28)24-21)13-18(26)23-15(4)8-6-7-14(2)3/h9-12,14-15H,5-8,13H2,1-4H3,(H,23,26)(H,24,28)/t15-,21-/m1/s1
InChIKeyXDNRFOVMKKTSJJ-QVKFZJNVSA-N
MW391.49 g/mol
LogP3.31
Rot. Bonds9

About 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide

2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide (PubChem CID 8571329) has the molecular formula C21H30FN3O3 and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide
PubChem CID8571329
Molecular FormulaC21H30FN3O3
Molecular Weight391.49 g/mol
Exact Mass391.23
IUPAC Name2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)CCCC(C)C)C1=O
InChIInChI=1S/C21H30FN3O3/c1-5-21(16-9-11-17(22)12-10-16)19(27)25(20(28)24-21)13-18(26)23-15(4)8-6-7-14(2)3/h9-12,14-15H,5-8,13H2,1-4H3,(H,23,26)(H,24,28)/t15-,21-/m1/s1
InChIKeyXDNRFOVMKKTSJJ-QVKFZJNVSA-N
XLogP3.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.31
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

2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 7264595
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-heptan-2-yl]acetamide
CID 8566054
2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide
CID 8566066
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8849641
(2R)-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8571229
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43028298
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8521703
2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8521706
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2584613
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7620481
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7181386
2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8571368

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide?
The IUPAC name of 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide (CID 8571329) is 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide.
What is the SMILES notation for 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide?
The canonical SMILES for 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide is CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)CCCC(C)C)C1=O.
What is the InChIKey of 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide?
The InChIKey is XDNRFOVMKKTSJJ-QVKFZJNVSA-N. The full InChI is InChI=1S/C21H30FN3O3/c1-5-21(16-9-11-17(22)12-10-16)19(27)25(20(28)24-21)13-18(26)23-15(4)8-6-7-14(2)3/h9-12,14-15H,5-8,13H2,1-4H3,(H,23,26)(H,24,28)/t15-,21-/m1/s1.
What are the key properties of 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide?
2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide has a molecular weight of 391.49 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide is sourced from PubChem (CID 8571329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).