(2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate

C20H20ClNO5 — CID 2433973

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO5/c21-16-7-5-15(6-8-16)13-26-18-4-2-1-3-17(18)20(24)27-14-19(23)22-9-11-25-12-10-22/h1-8H,9-14H2
InChIKeyHKCQERQGIBSIRY-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.93
Rot. Bonds6

About (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate

(2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate (PubChem CID 2433973) has the molecular formula C20H20ClNO5 and a molecular weight of 389.84 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate
PubChem CID2433973
Molecular FormulaC20H20ClNO5
Molecular Weight389.84 g/mol
Exact Mass389.10
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO5/c21-16-7-5-15(6-8-16)13-26-18-4-2-1-3-17(18)20(24)27-14-19(23)22-9-11-25-12-10-22/h1-8H,9-14H2
InChIKeyHKCQERQGIBSIRY-UHFFFAOYSA-N
XLogP2.93
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate (CID 2433973) is (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate is O=C(OCC(=O)N1CCOCC1)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate?
The InChIKey is HKCQERQGIBSIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO5/c21-16-7-5-15(6-8-16)13-26-18-4-2-1-3-17(18)20(24)27-14-19(23)22-9-11-25-12-10-22/h1-8H,9-14H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate?
(2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate has a molecular weight of 389.84 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 2433973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).