N-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

C20H24FN3O4 — CID 7799682

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESC[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O
InChIInChI=1S/C20H24FN3O4/c1-13-4-2-3-5-16(13)24-19(27)18(26)23(20(24)28)12-17(25)22-11-10-14-6-8-15(21)9-7-14/h6-9,13,16H,2-5,10-12H2,1H3,(H,22,25)/t13-,16-/m1/s1
InChIKeyXYIDWHPMOGHNDM-CZUORRHYSA-N
MW389.43 g/mol
LogP1.85
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 7799682) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID7799682
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESC[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O
InChIInChI=1S/C20H24FN3O4/c1-13-4-2-3-5-16(13)24-19(27)18(26)23(20(24)28)12-17(25)22-11-10-14-6-8-15(21)9-7-14/h6-9,13,16H,2-5,10-12H2,1H3,(H,22,25)/t13-,16-/m1/s1
InChIKeyXYIDWHPMOGHNDM-CZUORRHYSA-N
XLogP1.85
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8564536
N-(2-methoxyethyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800006
N-[2-(1H-indol-3-yl)ethyl]-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8564674
N-[2-(4-fluorophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756687
N-(2,5-difluorophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799757
N-(2-chloro-4-fluorophenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800427
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800513
N-[2-(4-chlorophenoxy)ethyl]-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 11929755
N-(4-acetamidophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800665
2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 7800483
N-[2-(4-fluorophenyl)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2081664
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799659

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 7799682) is N-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is XYIDWHPMOGHNDM-CZUORRHYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-13-4-2-3-5-16(13)24-19(27)18(26)23(20(24)28)12-17(25)22-11-10-14-6-8-15(21)9-7-14/h6-9,13,16H,2-5,10-12H2,1H3,(H,22,25)/t13-,16-/m1/s1.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 389.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7799682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).