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

C20H20FN3O4 — CID 7595557

IUPAC2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O
InChIInChI=1S/C20H20FN3O4/c1-3-20(13-7-9-16(28-2)10-8-13)18(26)24(19(27)23-20)12-17(25)22-15-6-4-5-14(21)11-15/h4-11H,3,12H2,1-2H3,(H,22,25)(H,23,27)/t20-/m0/s1
InChIKeyDCTFUZGMXRDHQZ-FQEVSTJZSA-N
MW385.40 g/mol
LogP2.63
Rot. Bonds6

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

2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 7595557) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID7595557
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O
InChIInChI=1S/C20H20FN3O4/c1-3-20(13-7-9-16(28-2)10-8-13)18(26)24(19(27)23-20)12-17(25)22-15-6-4-5-14(21)11-15/h4-11H,3,12H2,1-2H3,(H,22,25)(H,23,27)/t20-/m0/s1
InChIKeyDCTFUZGMXRDHQZ-FQEVSTJZSA-N
XLogP2.63
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.63
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-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7802383
N-(4-acetamidophenyl)-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17390593
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7620041
N-(4-ethoxyphenyl)-2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7595517
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,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 46443985
2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17449465
N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18224764
3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid
CID 16958374
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7595536

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide (CID 7595557) is 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide is CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O.
What is the InChIKey of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is DCTFUZGMXRDHQZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-3-20(13-7-9-16(28-2)10-8-13)18(26)24(19(27)23-20)12-17(25)22-15-6-4-5-14(21)11-15/h4-11H,3,12H2,1-2H3,(H,22,25)(H,23,27)/t20-/m0/s1.
What are the key properties of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 385.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 7595557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).