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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Related Compounds

methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate
CID 103889289
methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate
CID 104919956
N-(3-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 71916804
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78924438
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579
3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(3-fluorophenyl)morpholine-4-carboxamide
CID 75475549
(2R)-2-N-(2,6-dimethylphenyl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443151
methyl 4-(3-bromo-5-fluorobenzoyl)morpholine-3-carboxylate
CID 115670141
methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate
CID 115670262
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate
CID 115670106

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).