4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide

C21H19F2N3O3 — CID 69352263

IUPAC4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide
SMILESCC(C)n1c(-c2ccc(C(N)=O)cc2)nc(OCc2ccc(F)cc2F)cc1=O
InChIInChI=1S/C21H19F2N3O3/c1-12(2)26-19(27)10-18(29-11-15-7-8-16(22)9-17(15)23)25-21(26)14-5-3-13(4-6-14)20(24)28/h3-10,12H,11H2,1-2H3,(H2,24,28)
InChIKeyIKOAIXQTNXBPDD-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.45
Rot. Bonds6

About 4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide

4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide (PubChem CID 69352263) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is 4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide
PubChem CID69352263
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide
SMILESCC(C)n1c(-c2ccc(C(N)=O)cc2)nc(OCc2ccc(F)cc2F)cc1=O
InChIInChI=1S/C21H19F2N3O3/c1-12(2)26-19(27)10-18(29-11-15-7-8-16(22)9-17(15)23)25-21(26)14-5-3-13(4-6-14)20(24)28/h3-10,12H,11H2,1-2H3,(H2,24,28)
InChIKeyIKOAIXQTNXBPDD-UHFFFAOYSA-N
XLogP3.45
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzoate
CID 155523113
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-3-(1-methylethyl)-2-phenyl-4(3H)-pyrimidinone
CID 11532159
4-[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide
CID 11605367
2-[[4-(4-Fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 18918929
3,6-Dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 18919152
4-{[4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzoic acid
CID 21089015
4-{[5-bromo-4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6H)-yl]methyl}-N-methylbenzamide
CID 21089016
2-[[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide
CID 21089086
3-[[4-(4-Acetylpiperazine-1-carbonyl)phenyl]methyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089197
3-[[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide
CID 21089252
3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-hydroxybenzamide
CID 21089258
3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-propan-2-ylbenzamide
CID 21089259

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide?
The IUPAC name of 4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide (CID 69352263) is 4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide.
What is the SMILES notation for 4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide?
The canonical SMILES for 4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide is CC(C)n1c(-c2ccc(C(N)=O)cc2)nc(OCc2ccc(F)cc2F)cc1=O.
What is the InChIKey of 4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide?
The InChIKey is IKOAIXQTNXBPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c1-12(2)26-19(27)10-18(29-11-15-7-8-16(22)9-17(15)23)25-21(26)14-5-3-13(4-6-14)20(24)28/h3-10,12H,11H2,1-2H3,(H2,24,28).
What are the key properties of 4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide?
4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide has a molecular weight of 399.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]benzamide is sourced from PubChem (CID 69352263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).