4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid

C13H13ClFNO5 — CID 119239496

IUPAC4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)COc2ccc(F)c(Cl)c2)CCO1
InChIInChI=1S/C13H13ClFNO5/c14-9-5-8(1-2-10(9)15)21-7-12(17)16-3-4-20-11(6-16)13(18)19/h1-2,5,11H,3-4,6-7H2,(H,18,19)
InChIKeyQWOJBUVGAJQSMX-UHFFFAOYSA-N
MW317.70 g/mol
LogP1.17
Rot. Bonds4

About 4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid

4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid (PubChem CID 119239496) has the molecular formula C13H13ClFNO5 and a molecular weight of 317.70 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid
PubChem CID119239496
Molecular FormulaC13H13ClFNO5
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)COc2ccc(F)c(Cl)c2)CCO1
InChIInChI=1S/C13H13ClFNO5/c14-9-5-8(1-2-10(9)15)21-7-12(17)16-3-4-20-11(6-16)13(18)19/h1-2,5,11H,3-4,6-7H2,(H,18,19)
InChIKeyQWOJBUVGAJQSMX-UHFFFAOYSA-N
XLogP1.17
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid
CID 119238762
(2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 129366670
(2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid
CID 129367315
4-[2-(3-nitrophenoxy)acetyl]morpholine-2-carboxylic acid
CID 119238888
2-(3-chloro-4-fluorophenoxy)-1-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]ethanone
CID 72863341
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3-chloro-4-fluorophenoxy)ethanone;hydrochloride
CID 120659838
1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 42252620
(3R)-1-[2-(3,4-dichlorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81126899
2-(3-chloro-4-fluorophenoxy)-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119416174
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-(3-chloro-4-fluorophenoxy)ethanone
CID 120744738
2-(3-chloro-4-fluorophenoxy)-1-[(3S,4S)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]ethanone
CID 91795788

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid (CID 119239496) is 4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)COc2ccc(F)c(Cl)c2)CCO1.
What is the InChIKey of 4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid?
The InChIKey is QWOJBUVGAJQSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO5/c14-9-5-8(1-2-10(9)15)21-7-12(17)16-3-4-20-11(6-16)13(18)19/h1-2,5,11H,3-4,6-7H2,(H,18,19).
What are the key properties of 4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid?
4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid has a molecular weight of 317.70 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).