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

C20H18FN3O5 — CID 7888662

IUPACN-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1C(=O)C(=O)N(c2ccc(OC)cc2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O5/c1-3-22(14-6-4-13(21)5-7-14)17(25)12-23-18(26)19(27)24(20(23)28)15-8-10-16(29-2)11-9-15/h4-11H,3,12H2,1-2H3
InChIKeyKPIZNVALQUWDEC-UHFFFAOYSA-N
MW399.38 g/mol
LogP2.18
Rot. Bonds6

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

N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 7888662) has the molecular formula C20H18FN3O5 and a molecular weight of 399.38 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID7888662
Molecular FormulaC20H18FN3O5
Molecular Weight399.38 g/mol
Exact Mass399.12
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1C(=O)C(=O)N(c2ccc(OC)cc2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O5/c1-3-22(14-6-4-13(21)5-7-14)17(25)12-23-18(26)19(27)24(20(23)28)15-8-10-16(29-2)11-9-15/h4-11H,3,12H2,1-2H3
InChIKeyKPIZNVALQUWDEC-UHFFFAOYSA-N
XLogP2.18
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8597411
N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 55380115
1-[2-(4-fluorophenoxy)ethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7491794
1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 9241351
N-[(2-methoxyphenyl)methyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
CID 7888640
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 8597488
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 7488869
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
CID 8597532
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 106672010
N-(3-fluoro-4-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888566
N-ethyl-N-(4-fluorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51196261
2-chloro-N-ethyl-N-(4-methoxyphenyl)acetamide
CID 53416981

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 7888662) is N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CCN(C(=O)CN1C(=O)C(=O)N(c2ccc(OC)cc2)C1=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is KPIZNVALQUWDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O5/c1-3-22(14-6-4-13(21)5-7-14)17(25)12-23-18(26)19(27)24(20(23)28)15-8-10-16(29-2)11-9-15/h4-11H,3,12H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 399.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7888662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).