(2-morpholin-4-yl-2-oxoethyl) 2-bromobenzoate

C13H14BrNO4 — CID 2439019

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-bromobenzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccccc1Br
InChIInChI=1S/C13H14BrNO4/c14-11-4-2-1-3-10(11)13(17)19-9-12(16)15-5-7-18-8-6-15/h1-4H,5-9H2
InChIKeyZFALKPDBAQKHSZ-UHFFFAOYSA-N
MW328.16 g/mol
LogP1.46
Rot. Bonds3

About (2-morpholin-4-yl-2-oxoethyl) 2-bromobenzoate

(2-morpholin-4-yl-2-oxoethyl) 2-bromobenzoate (PubChem CID 2439019) has the molecular formula C13H14BrNO4 and a molecular weight of 328.16 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-bromobenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-bromobenzoate
PubChem CID2439019
Molecular FormulaC13H14BrNO4
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-bromobenzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccccc1Br
InChIInChI=1S/C13H14BrNO4/c14-11-4-2-1-3-10(11)13(17)19-9-12(16)15-5-7-18-8-6-15/h1-4H,5-9H2
InChIKeyZFALKPDBAQKHSZ-UHFFFAOYSA-N
XLogP1.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 51.46
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-bromobenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-bromobenzoate (CID 2439019) is (2-morpholin-4-yl-2-oxoethyl) 2-bromobenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-bromobenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-bromobenzoate is O=C(OCC(=O)N1CCOCC1)c1ccccc1Br.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-bromobenzoate?
The InChIKey is ZFALKPDBAQKHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO4/c14-11-4-2-1-3-10(11)13(17)19-9-12(16)15-5-7-18-8-6-15/h1-4H,5-9H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-bromobenzoate?
(2-morpholin-4-yl-2-oxoethyl) 2-bromobenzoate has a molecular weight of 328.16 g/mol, XLogP of 1.46, 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-bromobenzoate is sourced from PubChem (CID 2439019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).