3-bromo-N-(2-morpholin-4-ylethyl)benzamide

C13H17BrN2O2 — CID 669309

IUPAC3-bromo-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O2/c14-12-3-1-2-11(10-12)13(17)15-4-5-16-6-8-18-9-7-16/h1-3,10H,4-9H2,(H,15,17)
InChIKeyVUQAZPJCYAHFFB-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.51
Rot. Bonds4

About 3-bromo-N-(2-morpholin-4-ylethyl)benzamide

3-bromo-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 669309) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 3-bromo-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID669309
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name3-bromo-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O2/c14-12-3-1-2-11(10-12)13(17)15-4-5-16-6-8-18-9-7-16/h1-3,10H,4-9H2,(H,15,17)
InChIKeyVUQAZPJCYAHFFB-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481167
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447
3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 103706316
3-(methoxymethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 51218992
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053328
5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 47100697
3-bromo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110753209
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 109053296

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-bromo-N-(2-morpholin-4-ylethyl)benzamide (CID 669309) is 3-bromo-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-bromo-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is VUQAZPJCYAHFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-12-3-1-2-11(10-12)13(17)15-4-5-16-6-8-18-9-7-16/h1-3,10H,4-9H2,(H,15,17).
What are the key properties of 3-bromo-N-(2-morpholin-4-ylethyl)benzamide?
3-bromo-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 313.19 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 669309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).