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

C20H22FN3O4 — CID 8571047

IUPAC2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2ccc(C)o2)C1=O
InChIInChI=1S/C20H22FN3O4/c1-4-20(14-6-8-15(21)9-7-14)18(26)24(19(27)22-20)12-17(25)23(3)11-16-10-5-13(2)28-16/h5-10H,4,11-12H2,1-3H3,(H,22,27)/t20-/m0/s1
InChIKeyQHDYBZUMEPKNKW-FQEVSTJZSA-N
MW387.41 g/mol
LogP2.54
Rot. Bonds6

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

2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 8571047) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID8571047
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2ccc(C)o2)C1=O
InChIInChI=1S/C20H22FN3O4/c1-4-20(14-6-8-15(21)9-7-14)18(26)24(19(27)22-20)12-17(25)23(3)11-16-10-5-13(2)28-16/h5-10H,4,11-12H2,1-3H3,(H,22,27)/t20-/m0/s1
InChIKeyQHDYBZUMEPKNKW-FQEVSTJZSA-N
XLogP2.54
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 8571047) is 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2ccc(C)o2)C1=O.
What is the InChIKey of 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is QHDYBZUMEPKNKW-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-4-20(14-6-8-15(21)9-7-14)18(26)24(19(27)22-20)12-17(25)23(3)11-16-10-5-13(2)28-16/h5-10H,4,11-12H2,1-3H3,(H,22,27)/t20-/m0/s1.
What are the key properties of 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 387.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 8571047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).