3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide

C26H22FN3O4 — CID 175561554

IUPAC3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide
SMILESNC(=O)c1cccc(COc2ccc(Cn3ccc(=O)n(Cc4cccc(F)c4)c3=O)cc2)c1
InChIInChI=1S/C26H22FN3O4/c27-22-6-2-3-19(14-22)16-30-24(31)11-12-29(26(30)33)15-18-7-9-23(10-8-18)34-17-20-4-1-5-21(13-20)25(28)32/h1-14H,15-17H2,(H2,28,32)
InChIKeyLPZNNGVXESVYPG-UHFFFAOYSA-N
MW459.48 g/mol
LogP2.92
Rot. Bonds8

About 3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide

3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide (PubChem CID 175561554) has the molecular formula C26H22FN3O4 and a molecular weight of 459.48 g/mol. Its IUPAC name is 3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide.

Molecular Properties

Compound Name3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide
PubChem CID175561554
Molecular FormulaC26H22FN3O4
Molecular Weight459.48 g/mol
Exact Mass459.16
IUPAC Name3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide
SMILESNC(=O)c1cccc(COc2ccc(Cn3ccc(=O)n(Cc4cccc(F)c4)c3=O)cc2)c1
InChIInChI=1S/C26H22FN3O4/c27-22-6-2-3-19(14-22)16-30-24(31)11-12-29(26(30)33)15-18-7-9-23(10-8-18)34-17-20-4-1-5-21(13-20)25(28)32/h1-14H,15-17H2,(H2,28,32)
InChIKeyLPZNNGVXESVYPG-UHFFFAOYSA-N
XLogP2.92
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide with MolForge

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Related Compounds

3-[(4-fluorophenoxy)methyl]benzamide
CID 47027867
3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63812060
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755299
2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide
CID 50755172
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
N-(2,5-difluorophenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755199
(2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 166630369
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethoxyphenoxy)methyl]benzamide
CID 19401125
4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide
CID 63811248

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide?
The IUPAC name of 3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide (CID 175561554) is 3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide.
What is the SMILES notation for 3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide?
The canonical SMILES for 3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide is NC(=O)c1cccc(COc2ccc(Cn3ccc(=O)n(Cc4cccc(F)c4)c3=O)cc2)c1.
What is the InChIKey of 3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide?
The InChIKey is LPZNNGVXESVYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O4/c27-22-6-2-3-19(14-22)16-30-24(31)11-12-29(26(30)33)15-18-7-9-23(10-8-18)34-17-20-4-1-5-21(13-20)25(28)32/h1-14H,15-17H2,(H2,28,32).
What are the key properties of 3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide?
3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide has a molecular weight of 459.48 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide is sourced from PubChem (CID 175561554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).