2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride

C14H20BrClN2O2 — CID 2861967

IUPAC2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCOCC1)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O2.ClH/c15-13-5-2-1-4-12(13)14(18)16-6-3-7-17-8-10-19-11-9-17;/h1-2,4-5H,3,6-11H2,(H,16,18);1H
InChIKeyMUMJUIQOBCMLQL-UHFFFAOYSA-N
MW363.68 g/mol
LogP2.32
Rot. Bonds5

About 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride

2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride (PubChem CID 2861967) has the molecular formula C14H20BrClN2O2 and a molecular weight of 363.68 g/mol. Its IUPAC name is 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
PubChem CID2861967
Molecular FormulaC14H20BrClN2O2
Molecular Weight363.68 g/mol
Exact Mass362.04
IUPAC Name2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCOCC1)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O2.ClH/c15-13-5-2-1-4-12(13)14(18)16-6-3-7-17-8-10-19-11-9-17;/h1-2,4-5H,3,6-11H2,(H,16,18);1H
InChIKeyMUMJUIQOBCMLQL-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride (CID 2861967) is 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride is Cl.O=C(NCCCN1CCOCC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?
The InChIKey is MUMJUIQOBCMLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2.ClH/c15-13-5-2-1-4-12(13)14(18)16-6-3-7-17-8-10-19-11-9-17;/h1-2,4-5H,3,6-11H2,(H,16,18);1H.
What are the key properties of 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?
2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride has a molecular weight of 363.68 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 2861967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).