7-Bromo-3-hydroxy-N-[3-(morpholin-4-YL)propyl]naphthalene-2-carboxamide
Basic information
- CAS
10155-48-3- Standard SMILES
O=C(NCCCN1CCOCC1)c1cc2cc(Br)ccc2cc1O- InChIKey
PVZXJTNWDZNFJH-UHFFFAOYSA-N- Molecular formula
- C18H21BrN2O3
- Average molar mass
- 393.3 g/mol
- Monoisotopic mass
- 392.07356
Names & identifiers
- Preferred name
- 7-Bromo-3-hydroxy-N-[3-(morpholin-4-YL)propyl]naphthalene-2-carboxamide
- IUPAC
- 7-bromo-3-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
- English name
- 7-bromo-3-hydroxy-N-[3-(morpholin-4-yl)propyl]naphthalene-2-carboxamide
- Molecular formula
- C18H21BrN2O3
- Molecular weight
- 393.27
Names & synonyms
10155-48-37-BROMO-3-HYDROXY-N-[3-(MORPHOLIN-4-YL)PROPYL]NAPHTHALENE-2-CARBOXAMIDE7-bromo-3-hydroxy-N-(3-morpholinopropyl)-2-naphthamide7-Bromo-3-hydroxy-N-(3-(morpholin-4-yl)propyl)naphthalene-2-carboxamide2-Naphthalenecarboxamide, 7-bromo-3-hydroxy-N-[3-(4-morpholinyl)propyl]-EINECS 233-427-8PVZXJTNWDZNFJH-UHFFFAOYSA-N7-bromo-3-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamideH96LB5P7D6SCHEMBL11238408DTXSID10143992NS00023068
Show more names
7-Bromo-3-hydroxy-N-(3-morpholinopropyl)-2-naphthalenecarboxamide
7-Bromo-3-hydroxy-N-[3-(4-morpholinyl)propyl]-2-naphthalenecarboxamide
Database identifiers
- CAS
10155-48-3- PubChem CID
- 82415
- DTXSID
DTXSID10143992- UNII
- H96LB5P7D6
- EC Number
- 233-427-8
- Nikkaji
- J24.528C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Melting point
- 136.5 · 136.5-136.7 °C
- Boiling point
- 600 · 600.0±55.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 8.52 · 8.52±0.40(Predicted)
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Compound notes
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