N-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide

C25H28FN3O5 — CID 45371178

IUPACN-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc(C2(CN3C(=O)NC(CCC(=O)Nc4ccccc4F)C3=O)CCOCC2)cc1
InChIInChI=1S/C25H28FN3O5/c1-33-18-8-6-17(7-9-18)25(12-14-34-15-13-25)16-29-23(31)21(28-24(29)32)10-11-22(30)27-20-5-3-2-4-19(20)26/h2-9,21H,10-16H2,1H3,(H,27,30)(H,28,32)
InChIKeyMZEUDGOZDSQUGW-UHFFFAOYSA-N
MW469.51 g/mol
LogP3.22
Rot. Bonds8

About N-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide

N-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 45371178) has the molecular formula C25H28FN3O5 and a molecular weight of 469.51 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID45371178
Molecular FormulaC25H28FN3O5
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC NameN-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc(C2(CN3C(=O)NC(CCC(=O)Nc4ccccc4F)C3=O)CCOCC2)cc1
InChIInChI=1S/C25H28FN3O5/c1-33-18-8-6-17(7-9-18)25(12-14-34-15-13-25)16-29-23(31)21(28-24(29)32)10-11-22(30)27-20-5-3-2-4-19(20)26/h2-9,21H,10-16H2,1H3,(H,27,30)(H,28,32)
InChIKeyMZEUDGOZDSQUGW-UHFFFAOYSA-N
XLogP3.22
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide (CID 45371178) is N-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide is COc1ccc(C2(CN3C(=O)NC(CCC(=O)Nc4ccccc4F)C3=O)CCOCC2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is MZEUDGOZDSQUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O5/c1-33-18-8-6-17(7-9-18)25(12-14-34-15-13-25)16-29-23(31)21(28-24(29)32)10-11-22(30)27-20-5-3-2-4-19(20)26/h2-9,21H,10-16H2,1H3,(H,27,30)(H,28,32).
What are the key properties of N-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
N-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 469.51 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 45371178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).