N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide

C21H20FN3O3 — CID 50755299

IUPACN-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2c(=O)ccn(Cc3cccc(F)c3)c2=O)cc1
InChIInChI=1S/C21H20FN3O3/c1-2-15-6-8-18(9-7-15)23-19(26)14-25-20(27)10-11-24(21(25)28)13-16-4-3-5-17(22)12-16/h3-12H,2,13-14H2,1H3,(H,23,26)
InChIKeyMZMVJZUDNJDWMF-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.40
Rot. Bonds6

About N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide

N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide (PubChem CID 50755299) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
PubChem CID50755299
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2c(=O)ccn(Cc3cccc(F)c3)c2=O)cc1
InChIInChI=1S/C21H20FN3O3/c1-2-15-6-8-18(9-7-15)23-19(26)14-25-20(27)10-11-24(21(25)28)13-16-4-3-5-17(22)12-16/h3-12H,2,13-14H2,1H3,(H,23,26)
InChIKeyMZMVJZUDNJDWMF-UHFFFAOYSA-N
XLogP2.40
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide
CID 50755172
N-(2,5-difluorophenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755199
N-(4-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164326
N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755349
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324
2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide
CID 50755241
N-(4-ethylphenyl)-2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 75463858
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 16565921
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 112845975
3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63812060
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide (CID 50755299) is N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide is CCc1ccc(NC(=O)Cn2c(=O)ccn(Cc3cccc(F)c3)c2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
The InChIKey is MZMVJZUDNJDWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-2-15-6-8-18(9-7-15)23-19(26)14-25-20(27)10-11-24(21(25)28)13-16-4-3-5-17(22)12-16/h3-12H,2,13-14H2,1H3,(H,23,26).
What are the key properties of N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide has a molecular weight of 381.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 50755299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).