(2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate

C15H17FN2O5 — CID 2548453

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(F)c1)OCC(=O)N1CCOCC1
InChIInChI=1S/C15H17FN2O5/c16-12-3-1-2-11(8-12)15(21)17-9-14(20)23-10-13(19)18-4-6-22-7-5-18/h1-3,8H,4-7,9-10H2,(H,17,21)
InChIKeyMXQVSVHOJXBBSW-UHFFFAOYSA-N
MW324.31 g/mol
LogP-0.04
Rot. Bonds5

About (2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate

(2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 2548453) has the molecular formula C15H17FN2O5 and a molecular weight of 324.31 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID2548453
Molecular FormulaC15H17FN2O5
Molecular Weight324.31 g/mol
Exact Mass324.11
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(F)c1)OCC(=O)N1CCOCC1
InChIInChI=1S/C15H17FN2O5/c16-12-3-1-2-11(8-12)15(21)17-9-14(20)23-10-13(19)18-4-6-22-7-5-18/h1-3,8H,4-7,9-10H2,(H,17,21)
InChIKeyMXQVSVHOJXBBSW-UHFFFAOYSA-N
XLogP-0.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 31228874
(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 35661902
ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 9363783
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662487
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-fluorobenzamide
CID 43057717
3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 113352781
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364143
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548358
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548489
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 16598734
3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide
CID 75519811

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate (CID 2548453) is (2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1cccc(F)c1)OCC(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is MXQVSVHOJXBBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O5/c16-12-3-1-2-11(8-12)15(21)17-9-14(20)23-10-13(19)18-4-6-22-7-5-18/h1-3,8H,4-7,9-10H2,(H,17,21).
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate?
(2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 324.31 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 2548453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).