3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide

C15H21BrN2O3 — CID 2298847

IUPAC3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCOCC2)cc1Br
InChIInChI=1S/C15H21BrN2O3/c1-20-14-4-3-12(11-13(14)16)15(19)17-5-2-6-18-7-9-21-10-8-18/h3-4,11H,2,5-10H2,1H3,(H,17,19)
InChIKeyMWYVFCIUJBGGQL-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.91
Rot. Bonds6

About 3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide

3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 2298847) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID2298847
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCOCC2)cc1Br
InChIInChI=1S/C15H21BrN2O3/c1-20-14-4-3-12(11-13(14)16)15(19)17-5-2-6-18-7-9-21-10-8-18/h3-4,11H,2,5-10H2,1H3,(H,17,19)
InChIKeyMWYVFCIUJBGGQL-UHFFFAOYSA-N
XLogP1.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 2298847) is 3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide is COc1ccc(C(=O)NCCCN2CCOCC2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is MWYVFCIUJBGGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-20-14-4-3-12(11-13(14)16)15(19)17-5-2-6-18-7-9-21-10-8-18/h3-4,11H,2,5-10H2,1H3,(H,17,19).
What are the key properties of 3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 357.25 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 2298847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).