N,N-diallyl-5-chloro-2-nitrobenzamide
Basic information
- CAS
6105-85-7- Standard SMILES
C=CCN(CC=C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-]- InChIKey
OVOJFFDLGTWNFC-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2O3
- Average molar mass
- 280.7 g/mol
- Monoisotopic mass
- 280.06147
Names & identifiers
- Preferred name
- N,N-diallyl-5-chloro-2-nitrobenzamide
- IUPAC
- 5-chloro-2-nitro-N,N-bis(prop-2-enyl)benzamide
Names & synonyms
N,N-diallyl-5-chloro-2-nitrobenzamide5-chloro-2-nitro-N,N-bis(prop-2-enyl)benzamide5-chloro-2-nitro-N,N-di(prop-2-en-1-yl)benzamideCBMicro_046022Oprea1_859749MLS000666583CHEMBL1567052DTXSID90976548HMS2514B05HMS3375E20STK427667AKOS000182114
Show more names
3b,20a-Yohimban-16b-carboxylic acid, 17a,18b-dihydroxy-, methyl ester, 18-(3,4,5-trimethoxybenzoate),SMR000268253BIM-0046017.P001ST50920186SR-01000227810SR-01000227810-1(5-chloro-2-nitrophenyl)-N,N-diprop-2-enylcarboxamide
Database identifiers
- CAS
6105-85-7- PubChem CID
- 873640
- DTXSID
DTXSID90976548- ChEMBL
CHEMBL1567052
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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