benzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate

C20H15FN2O5 — CID 12690843

IUPACbenzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate
SMILESCc1ccccc1C(=O)n1c(=O)c(F)cn(C(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C20H15FN2O5/c1-13-7-5-6-10-15(13)17(24)23-18(25)16(21)11-22(19(23)26)20(27)28-12-14-8-3-2-4-9-14/h2-11H,12H2,1H3
InChIKeyAZMVHEKWZHBQAN-UHFFFAOYSA-N
MW382.35 g/mol
LogP2.33
Rot. Bonds3

About benzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate

benzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate (PubChem CID 12690843) has the molecular formula C20H15FN2O5 and a molecular weight of 382.35 g/mol. Its IUPAC name is benzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate
PubChem CID12690843
Molecular FormulaC20H15FN2O5
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Namebenzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate
SMILESCc1ccccc1C(=O)n1c(=O)c(F)cn(C(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C20H15FN2O5/c1-13-7-5-6-10-15(13)17(24)23-18(25)16(21)11-22(19(23)26)20(27)28-12-14-8-3-2-4-9-14/h2-11H,12H2,1H3
InChIKeyAZMVHEKWZHBQAN-UHFFFAOYSA-N
XLogP2.33
TPSA87.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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1-O-benzyl 3-O-methyl 5-benzyl-4-hydroxypyrrole-1,3-dicarboxylate
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benzyl acetate
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1-(2-methylphenyl)-2-phenylmethoxyethanone
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ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate
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CID 110366473
benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
CID 108569496
benzyl 2,3-difluorobenzoate
CID 62867579
2-methyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
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CID 90322009
1-phenylmethoxycarbonylindole-3-carboxylate
CID 86198178

Frequently Asked Questions

What is the IUPAC name of benzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate?
The IUPAC name of benzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate (CID 12690843) is benzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate.
What is the SMILES notation for benzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate?
The canonical SMILES for benzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate is Cc1ccccc1C(=O)n1c(=O)c(F)cn(C(=O)OCc2ccccc2)c1=O.
What is the InChIKey of benzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate?
The InChIKey is AZMVHEKWZHBQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O5/c1-13-7-5-6-10-15(13)17(24)23-18(25)16(21)11-22(19(23)26)20(27)28-12-14-8-3-2-4-9-14/h2-11H,12H2,1H3.
What are the key properties of benzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate?
benzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate has a molecular weight of 382.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate is sourced from PubChem (CID 12690843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).