4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide

C13H15BrN2O3 — CID 2976898

IUPAC4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
SMILESO=C(NCC(=O)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O3/c14-11-3-1-10(2-4-11)13(18)15-9-12(17)16-5-7-19-8-6-16/h1-4H,5-9H2,(H,15,18)
InChIKeyCVMWAUMIUBJFRJ-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.04
Rot. Bonds3

About 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide

4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide (PubChem CID 2976898) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
PubChem CID2976898
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
SMILESO=C(NCC(=O)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O3/c14-11-3-1-10(2-4-11)13(18)15-9-12(17)16-5-7-19-8-6-16/h1-4H,5-9H2,(H,15,18)
InChIKeyCVMWAUMIUBJFRJ-UHFFFAOYSA-N
XLogP1.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The IUPAC name of 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide (CID 2976898) is 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide is O=C(NCC(=O)N1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The InChIKey is CVMWAUMIUBJFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-11-3-1-10(2-4-11)13(18)15-9-12(17)16-5-7-19-8-6-16/h1-4H,5-9H2,(H,15,18).
What are the key properties of 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide has a molecular weight of 327.18 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide is sourced from PubChem (CID 2976898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).