N-Octadecyl m-nitrobenzamide
Basic information
- CAS
109799-65-7- Standard SMILES
CCCCCCCCCCCCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1- InChIKey
MBGMGVISROGRGY-UHFFFAOYSA-N- Molecular formula
- C25H42N2O3
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.31954321
Names & identifiers
- Preferred name
- N-Octadecyl m-nitrobenzamide
- IUPAC
- 3-nitro-N-octadecylbenzamide
- English name
- M-NITRO-N-OCTADECYLBENZAMIDE
- Molecular formula
- C25H42N2O3
- Molecular weight
- 418.61
Names & synonyms
109799-65-7N-Octadecyl m-nitrobenzamideDTXSID10149050RefChem:164042DTXCID5071541MBGMGVISROGRGY-UHFFFAOYSA-N3-Nitro-n-octadecylbenzamidem-Nitro-N-octadecylbenzamideN-Octadecyl-m-nitrobenzamideBenzamide, 3-nitro-N-octadecyl-MFCD00043747(3-nitrophenyl)-N-octadecylcarboxamide
Show more names
3-nitro-N-octadecyl-benzamideSCHEMBL91703223-Nitro-n-octadecylbenzamide #SCHEMBL10599093C25H42N2O3SBB008035STL261941AKOS015839801
Database identifiers
- CAS
109799-65-7- PubChem CID
- 145462
- DTXSID
DTXSID10149050
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 437
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Related reactions
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Compound notes
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