2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

C24H21FN4O4 — CID 3165114

IUPAC2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccnc2)cc1
InChIInChI=1S/C24H21FN4O4/c1-33-20-10-6-18(7-11-20)27-22(30)13-21-23(31)29(19-8-4-17(25)5-9-19)24(32)28(21)15-16-3-2-12-26-14-16/h2-12,14,21H,13,15H2,1H3,(H,27,30)
InChIKeyYVUVJNNGNJHXQW-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.60
Rot. Bonds7

About 2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 3165114) has the molecular formula C24H21FN4O4 and a molecular weight of 448.45 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID3165114
Molecular FormulaC24H21FN4O4
Molecular Weight448.45 g/mol
Exact Mass448.15
IUPAC Name2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccnc2)cc1
InChIInChI=1S/C24H21FN4O4/c1-33-20-10-6-18(7-11-20)27-22(30)13-21-23(31)29(19-8-4-17(25)5-9-19)24(32)28(21)15-16-3-2-12-26-14-16/h2-12,14,21H,13,15H2,1H3,(H,27,30)
InChIKeyYVUVJNNGNJHXQW-UHFFFAOYSA-N
XLogP3.60
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide (CID 3165114) is 2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccnc2)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is YVUVJNNGNJHXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4/c1-33-20-10-6-18(7-11-20)27-22(30)13-21-23(31)29(19-8-4-17(25)5-9-19)24(32)28(21)15-16-3-2-12-26-14-16/h2-12,14,21H,13,15H2,1H3,(H,27,30).
What are the key properties of 2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 448.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3165114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).