N-{2,2,2-trichloro-1-[(2-furylmethyl)amino]ethyl}-1-naphthamide
Basic information
- CAS
324072-53-9- Standard SMILES
O=C(NC(NCc1ccco1)C(Cl)(Cl)Cl)c1cccc2ccccc12- InChIKey
ODJOUOYZSGNMLC-UHFFFAOYSA-N- Molecular formula
- C18H15Cl3N2O2
- Average molar mass
- 397.7 g/mol
- Monoisotopic mass
- 396.019911
Names & identifiers
- Preferred name
- N-{2,2,2-trichloro-1-[(2-furylmethyl)amino]ethyl}-1-naphthamide
- IUPAC
- N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]naphthalene-1-carboxamide
- English name
- N-{2,2,2-trichloro-1-[(2-furylmethyl)amino]ethyl}-1-naphthamide
- Molecular formula
- C18H15Cl3N2O2
- Molecular weight
- 397.68
Names & synonyms
N-{2,2,2-trichloro-1-[(2-furylmethyl)amino]ethyl}-1-naphthamideSCHEMBL15933099STK809062AKOS002162568AKOS016288973N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]naphthalene-1-carboxamideAG-690/09878054N-{2,2,2-trichloro-1-[(furan-2-ylmethyl)amino]ethyl}naphthalene-1-carboxamideNAPHTHALENE-1-CARBOXYLIC ACID (2,2,2-TRI-CL-1-((FURAN-2-YLMETHYL)-AMINO)ET)AMIDE1-Naphthalenecarboxamide, N-[2,2,2-trichloro-1-[(2-furanylmethyl)amino]ethyl]-
Database identifiers
- CAS
324072-53-9- PubChem CID
- 3103403
- EC Number
- 164-771-6
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Boiling point
- 556.8 · 556.8±50.0 °C(Predicted)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- pka
- 12.02 · 12.02±0.46(Predicted)
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Compound notes
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