2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide

C20H16BrF2N3O3 — CID 21089086

IUPAC2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccccc1C(N)=O
InChIInChI=1S/C20H16BrF2N3O3/c1-11-25-19(29-10-13-6-7-14(22)8-16(13)23)17(21)20(28)26(11)9-12-4-2-3-5-15(12)18(24)27/h2-8H,9-10H2,1H3,(H2,24,27)
InChIKeyPIQAAZBBHGADFR-UHFFFAOYSA-N
MW464.27 g/mol
LogP3.32
Rot. Bonds6

About 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide

2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide (PubChem CID 21089086) has the molecular formula C20H16BrF2N3O3 and a molecular weight of 464.27 g/mol. Its IUPAC name is 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide
PubChem CID21089086
Molecular FormulaC20H16BrF2N3O3
Molecular Weight464.27 g/mol
Exact Mass463.03
IUPAC Name2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccccc1C(N)=O
InChIInChI=1S/C20H16BrF2N3O3/c1-11-25-19(29-10-13-6-7-14(22)8-16(13)23)17(21)20(28)26(11)9-12-4-2-3-5-15(12)18(24)27/h2-8H,9-10H2,1H3,(H2,24,27)
InChIKeyPIQAAZBBHGADFR-UHFFFAOYSA-N
XLogP3.32
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide?
The IUPAC name of 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide (CID 21089086) is 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide.
What is the SMILES notation for 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide?
The canonical SMILES for 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide is Cc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccccc1C(N)=O.
What is the InChIKey of 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide?
The InChIKey is PIQAAZBBHGADFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrF2N3O3/c1-11-25-19(29-10-13-6-7-14(22)8-16(13)23)17(21)20(28)26(11)9-12-4-2-3-5-15(12)18(24)27/h2-8H,9-10H2,1H3,(H2,24,27).
What are the key properties of 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide?
2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide has a molecular weight of 464.27 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide is sourced from PubChem (CID 21089086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).