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

C20H16F3N3O4 — CID 112845975

IUPAC2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C20H16F3N3O4/c21-15-10-14(6-7-16(15)30-19(22)23)24-17(27)12-26-18(28)8-9-25(20(26)29)11-13-4-2-1-3-5-13/h1-10,19H,11-12H2,(H,24,27)
InChIKeyKYNYFZNEBSAEDB-UHFFFAOYSA-N
MW419.36 g/mol
LogP2.44
Rot. Bonds7

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

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide (PubChem CID 112845975) has the molecular formula C20H16F3N3O4 and a molecular weight of 419.36 g/mol. Its IUPAC name is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
PubChem CID112845975
Molecular FormulaC20H16F3N3O4
Molecular Weight419.36 g/mol
Exact Mass419.11
IUPAC Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C20H16F3N3O4/c21-15-10-14(6-7-16(15)30-19(22)23)24-17(27)12-26-18(28)8-9-25(20(26)29)11-13-4-2-1-3-5-13/h1-10,19H,11-12H2,(H,24,27)
InChIKeyKYNYFZNEBSAEDB-UHFFFAOYSA-N
XLogP2.44
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 16565921
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755299
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136802
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 26260742
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
N-(2,5-difluorophenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755199
2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 50755440

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide?
The IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide (CID 112845975) is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide.
What is the SMILES notation for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide?
The canonical SMILES for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide is O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide?
The InChIKey is KYNYFZNEBSAEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O4/c21-15-10-14(6-7-16(15)30-19(22)23)24-17(27)12-26-18(28)8-9-25(20(26)29)11-13-4-2-1-3-5-13/h1-10,19H,11-12H2,(H,24,27).
What are the key properties of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide?
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide has a molecular weight of 419.36 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide is sourced from PubChem (CID 112845975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).