2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide

C16H19F2N3O3 — CID 41075308

IUPAC2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C16H19F2N3O3/c1-4-20(5-2)13(22)9-21-14(23)16(3,19-15(21)24)10-6-7-11(17)12(18)8-10/h6-8H,4-5,9H2,1-3H3,(H,19,24)/t16-/m1/s1
InChIKeyUNAIXKPPZYALDU-MRXNPFEDSA-N
MW339.34 g/mol
LogP1.60
Rot. Bonds5

About 2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide

2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide (PubChem CID 41075308) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide
PubChem CID41075308
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C16H19F2N3O3/c1-4-20(5-2)13(22)9-21-14(23)16(3,19-15(21)24)10-6-7-11(17)12(18)8-10/h6-8H,4-5,9H2,1-3H3,(H,19,24)/t16-/m1/s1
InChIKeyUNAIXKPPZYALDU-MRXNPFEDSA-N
XLogP1.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-diethylbenzamide
CID 46646653
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2575034
(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 92799825
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595916
5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 24523455
5-(3,4-difluorophenyl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 24523461
2-[(4S)-4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide
CID 94798161
N-benzyl-N-ethyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18099217
N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 24523481
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 47094539
N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 24520498
N-(5-chloro-2-pyridinyl)-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51935140

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide (CID 41075308) is 2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O.
What is the InChIKey of 2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide?
The InChIKey is UNAIXKPPZYALDU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-4-20(5-2)13(22)9-21-14(23)16(3,19-15(21)24)10-6-7-11(17)12(18)8-10/h6-8H,4-5,9H2,1-3H3,(H,19,24)/t16-/m1/s1.
What are the key properties of 2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide?
2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide has a molecular weight of 339.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 41075308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).