2-bromo-N-morpholin-4-ylbenzamide

C11H13BrN2O2 — CID 819247

IUPAC2-bromo-N-morpholin-4-ylbenzamide
SMILESO=C(NN1CCOCC1)c1ccccc1Br
InChIInChI=1S/C11H13BrN2O2/c12-10-4-2-1-3-9(10)11(15)13-14-5-7-16-8-6-14/h1-4H,5-8H2,(H,13,15)
InChIKeyTZBIIFYAUWGZNU-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.43
Rot. Bonds2

About 2-bromo-N-morpholin-4-ylbenzamide

2-bromo-N-morpholin-4-ylbenzamide (PubChem CID 819247) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-bromo-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name2-bromo-N-morpholin-4-ylbenzamide
PubChem CID819247
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name2-bromo-N-morpholin-4-ylbenzamide
SMILESO=C(NN1CCOCC1)c1ccccc1Br
InChIInChI=1S/C11H13BrN2O2/c12-10-4-2-1-3-9(10)11(15)13-14-5-7-16-8-6-14/h1-4H,5-8H2,(H,13,15)
InChIKeyTZBIIFYAUWGZNU-UHFFFAOYSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-morpholin-4-ylbenzamide
CID 870844
(2-Bromophenyl)(morpholino)methanone
CID 532184
N-(morpholin-4-yl)benzamide
CID 229509
4-methyl-N-morpholin-4-ylbenzamide
CID 4452166
4-(4-Bromobenzoyl)morpholine
CID 532148
3-fluoro-N-(4-morpholinyl)benzamide
CID 870973
2-methyl-N-(4-morpholinyl)benzamide
CID 2852751
3-bromo-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide
CID 164617817
2-bromo-N'-(3-cyclohexen-1-ylcarbonyl)benzohydrazide
CID 2843917
2-fluoro-N-(morpholin-4-yl)benzamide
CID 2867643
4-fluoro-N-(morpholin-4-yl)benzamide
CID 3416059
3-bromo-N-(4-methyl-1-piperazinyl)benzamide
CID 871878

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-morpholin-4-ylbenzamide?
The IUPAC name of 2-bromo-N-morpholin-4-ylbenzamide (CID 819247) is 2-bromo-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 2-bromo-N-morpholin-4-ylbenzamide?
The canonical SMILES for 2-bromo-N-morpholin-4-ylbenzamide is O=C(NN1CCOCC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-morpholin-4-ylbenzamide?
The InChIKey is TZBIIFYAUWGZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-10-4-2-1-3-9(10)11(15)13-14-5-7-16-8-6-14/h1-4H,5-8H2,(H,13,15).
What are the key properties of 2-bromo-N-morpholin-4-ylbenzamide?
2-bromo-N-morpholin-4-ylbenzamide has a molecular weight of 285.14 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 819247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).