methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate

C13H15FN2O4 — CID 104774908

IUPACmethyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H15FN2O4/c1-19-12(17)11-8-20-6-5-16(11)13(18)15-10-4-2-3-9(14)7-10/h2-4,7,11H,5-6,8H2,1H3,(H,15,18)
InChIKeyCBTXQPBIHPUXAQ-UHFFFAOYSA-N
MW282.27 g/mol
LogP1.23
Rot. Bonds2

About methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate

methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate (PubChem CID 104774908) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate
PubChem CID104774908
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Namemethyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H15FN2O4/c1-19-12(17)11-8-20-6-5-16(11)13(18)15-10-4-2-3-9(14)7-10/h2-4,7,11H,5-6,8H2,1H3,(H,15,18)
InChIKeyCBTXQPBIHPUXAQ-UHFFFAOYSA-N
XLogP1.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate (CID 104774908) is methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)Nc1cccc(F)c1.
What is the InChIKey of methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate?
The InChIKey is CBTXQPBIHPUXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-19-12(17)11-8-20-6-5-16(11)13(18)15-10-4-2-3-9(14)7-10/h2-4,7,11H,5-6,8H2,1H3,(H,15,18).
What are the key properties of methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate?
methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate has a molecular weight of 282.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate is sourced from PubChem (CID 104774908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).