[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate

C15H17ClFNO4 — CID 2346530

IUPAC[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESC[C@@H]1CN(C(=O)COC(=O)c2ccc(F)cc2Cl)C[C@@H](C)O1
InChIInChI=1S/C15H17ClFNO4/c1-9-6-18(7-10(2)22-9)14(19)8-21-15(20)12-4-3-11(17)5-13(12)16/h3-5,9-10H,6-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyUPCCZCYTEVRVQW-NXEZZACHSA-N
MW329.75 g/mol
LogP2.27
Rot. Bonds3

About [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate

[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate (PubChem CID 2346530) has the molecular formula C15H17ClFNO4 and a molecular weight of 329.75 g/mol. Its IUPAC name is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate.

Molecular Properties

Compound Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate
PubChem CID2346530
Molecular FormulaC15H17ClFNO4
Molecular Weight329.75 g/mol
Exact Mass329.08
IUPAC Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESC[C@@H]1CN(C(=O)COC(=O)c2ccc(F)cc2Cl)C[C@@H](C)O1
InChIInChI=1S/C15H17ClFNO4/c1-9-6-18(7-10(2)22-9)14(19)8-21-15(20)12-4-3-11(17)5-13(12)16/h3-5,9-10H,6-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyUPCCZCYTEVRVQW-NXEZZACHSA-N
XLogP2.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate with MolForge

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Related Compounds

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837351
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 23762160
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7509056
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3545684
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2513155
[2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2416966
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 16533468
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16529275
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009952
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] naphthalene-1-carboxylate
CID 4202152
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503895
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2345805

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate (CID 2346530) is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate.
What is the SMILES notation for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The canonical SMILES for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate is C[C@@H]1CN(C(=O)COC(=O)c2ccc(F)cc2Cl)C[C@@H](C)O1.
What is the InChIKey of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The InChIKey is UPCCZCYTEVRVQW-NXEZZACHSA-N. The full InChI is InChI=1S/C15H17ClFNO4/c1-9-6-18(7-10(2)22-9)14(19)8-21-15(20)12-4-3-11(17)5-13(12)16/h3-5,9-10H,6-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate?
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate has a molecular weight of 329.75 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate is sourced from PubChem (CID 2346530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).