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

C21H22FN3O4 — CID 42962374

IUPAC3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCC2NC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C21H22FN3O4/c1-29-17-8-2-14(3-9-17)12-13-23-19(26)11-10-18-20(27)25(21(28)24-18)16-6-4-15(22)5-7-16/h2-9,18H,10-13H2,1H3,(H,23,26)(H,24,28)
InChIKeyHVLLLCKLPWBZBM-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.40
Rot. Bonds8

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

3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 42962374) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID42962374
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCC2NC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C21H22FN3O4/c1-29-17-8-2-14(3-9-17)12-13-23-19(26)11-10-18-20(27)25(21(28)24-18)16-6-4-15(22)5-7-16/h2-9,18H,10-13H2,1H3,(H,23,26)(H,24,28)
InChIKeyHVLLLCKLPWBZBM-UHFFFAOYSA-N
XLogP2.40
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91638035
3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide
CID 110204751
3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
CID 124849525
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 16660931
N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210460
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 91823348
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025749
3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 110205352
N-[2-(4-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022421

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 42962374) is 3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCC2NC(=O)N(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is HVLLLCKLPWBZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-29-17-8-2-14(3-9-17)12-13-23-19(26)11-10-18-20(27)25(21(28)24-18)16-6-4-15(22)5-7-16/h2-9,18H,10-13H2,1H3,(H,23,26)(H,24,28).
What are the key properties of 3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 399.42 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 42962374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).