(2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate

C13H13ClFNO4 — CID 2433206

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H13ClFNO4/c14-11-7-9(15)1-2-10(11)13(18)20-8-12(17)16-3-5-19-6-4-16/h1-2,7H,3-6,8H2
InChIKeyBGYDGYKUKBXLFD-UHFFFAOYSA-N
MW301.70 g/mol
LogP1.49
Rot. Bonds3

About (2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate

(2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate (PubChem CID 2433206) has the molecular formula C13H13ClFNO4 and a molecular weight of 301.70 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate
PubChem CID2433206
Molecular FormulaC13H13ClFNO4
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H13ClFNO4/c14-11-7-9(15)1-2-10(11)13(18)20-8-12(17)16-3-5-19-6-4-16/h1-2,7H,3-6,8H2
InChIKeyBGYDGYKUKBXLFD-UHFFFAOYSA-N
XLogP1.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate (CID 2433206) is (2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate is O=C(OCC(=O)N1CCOCC1)c1ccc(F)cc1Cl.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate?
The InChIKey is BGYDGYKUKBXLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO4/c14-11-7-9(15)1-2-10(11)13(18)20-8-12(17)16-3-5-19-6-4-16/h1-2,7H,3-6,8H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate?
(2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate has a molecular weight of 301.70 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-chloro-4-fluorobenzoate is sourced from PubChem (CID 2433206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).