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

C13H17BrN2O2 — CID 3049188

IUPAC4-bromo-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
InChIKeyJYOYWFUWFCOJOR-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.51
Rot. Bonds4

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

4-bromo-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 3049188) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-bromo-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID3049188
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name4-bromo-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
InChIKeyJYOYWFUWFCOJOR-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-bromo-N-(2-morpholin-4-ylethyl)benzamide (CID 3049188) is 4-bromo-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is JYOYWFUWFCOJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17).
What are the key properties of 4-bromo-N-(2-morpholin-4-ylethyl)benzamide?
4-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 4-bromo-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 3049188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).