2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide

C23H25FN4O4 — CID 55899647

IUPAC2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(Cc2cccnc2)CC2CCCO2)C1=O
InChIInChI=1S/C23H25FN4O4/c1-23(17-6-8-18(24)9-7-17)21(30)28(22(31)26-23)15-20(29)27(14-19-5-3-11-32-19)13-16-4-2-10-25-12-16/h2,4,6-10,12,19H,3,5,11,13-15H2,1H3,(H,26,31)
InChIKeyWSRLFVAIVQPXOQ-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.20
Rot. Bonds7

About 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 55899647) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID55899647
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(Cc2cccnc2)CC2CCCO2)C1=O
InChIInChI=1S/C23H25FN4O4/c1-23(17-6-8-18(24)9-7-17)21(30)28(22(31)26-23)15-20(29)27(14-19-5-3-11-32-19)13-16-4-2-10-25-12-16/h2,4,6-10,12,19H,3,5,11,13-15H2,1H3,(H,26,31)
InChIKeyWSRLFVAIVQPXOQ-UHFFFAOYSA-N
XLogP2.20
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 60558376
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 55900273
2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 31334048
N-benzyl-N-ethyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18099217
2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 46994502
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 55899651
N-benzyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 46533735
3-[(2-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 47065691
3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 55835045
N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51966521
(2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 94628652
N-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 95625827

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide (CID 55899647) is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(Cc2cccnc2)CC2CCCO2)C1=O.
What is the InChIKey of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is WSRLFVAIVQPXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-23(17-6-8-18(24)9-7-17)21(30)28(22(31)26-23)15-20(29)27(14-19-5-3-11-32-19)13-16-4-2-10-25-12-16/h2,4,6-10,12,19H,3,5,11,13-15H2,1H3,(H,26,31).
What are the key properties of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide?
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 440.48 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 55899647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).