ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate

C14H17FN2O3 — CID 75235962

IUPACethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate
SMILESCCOC(=O)C1C(C)NC(=O)NC1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c1-3-20-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(15)7-5-9/h4-8,11-12H,3H2,1-2H3,(H2,16,17,19)
InChIKeyKTDYGBVSAFKENM-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.75
Rot. Bonds3

About ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate

ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate (PubChem CID 75235962) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate
PubChem CID75235962
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Nameethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate
SMILESCCOC(=O)C1C(C)NC(=O)NC1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c1-3-20-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(15)7-5-9/h4-8,11-12H,3H2,1-2H3,(H2,16,17,19)
InChIKeyKTDYGBVSAFKENM-UHFFFAOYSA-N
XLogP1.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate (CID 75235962) is ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate is CCOC(=O)C1C(C)NC(=O)NC1c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate?
The InChIKey is KTDYGBVSAFKENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-3-20-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(15)7-5-9/h4-8,11-12H,3H2,1-2H3,(H2,16,17,19).
What are the key properties of ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate?
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate has a molecular weight of 280.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate is sourced from PubChem (CID 75235962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).