N-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C20H19F2N3O4 — CID 7802383

IUPACN-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O
InChIInChI=1S/C20H19F2N3O4/c1-3-20(12-4-7-14(29-2)8-5-12)18(27)25(19(28)24-20)11-17(26)23-16-10-13(21)6-9-15(16)22/h4-10H,3,11H2,1-2H3,(H,23,26)(H,24,28)/t20-/m0/s1
InChIKeyRFQKMMCLLIJBRG-FQEVSTJZSA-N
MW403.39 g/mol
LogP2.77
Rot. Bonds6

About N-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7802383) has the molecular formula C20H19F2N3O4 and a molecular weight of 403.39 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7802383
Molecular FormulaC20H19F2N3O4
Molecular Weight403.39 g/mol
Exact Mass403.13
IUPAC NameN-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O
InChIInChI=1S/C20H19F2N3O4/c1-3-20(12-4-7-14(29-2)8-5-12)18(27)25(19(28)24-20)11-17(26)23-16-10-13(21)6-9-15(16)22/h4-10H,3,11H2,1-2H3,(H,23,26)(H,24,28)/t20-/m0/s1
InChIKeyRFQKMMCLLIJBRG-FQEVSTJZSA-N
XLogP2.77
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.77
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

2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7595557
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2584670
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7802349
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 7595447
N-(4-acetamidophenyl)-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17390593
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7595536
2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7595537
N-(2,5-difluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250071
2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17449465
N-(4-ethoxyphenyl)-2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7595517
N-(2,4-dimethylphenyl)-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7264774
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7802383) is N-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is RFQKMMCLLIJBRG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19F2N3O4/c1-3-20(12-4-7-14(29-2)8-5-12)18(27)25(19(28)24-20)11-17(26)23-16-10-13(21)6-9-15(16)22/h4-10H,3,11H2,1-2H3,(H,23,26)(H,24,28)/t20-/m0/s1.
What are the key properties of N-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 403.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7802383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).