N-(((Diphenylacetyl)amino)(3-nitrophenyl)methyl)-2,2-diphenylacetamide
Basic information
- CAS
303061-68-9- Standard SMILES
O=C(NC(NC(=O)C(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1- InChIKey
HLQUTEORYNRWKT-UHFFFAOYSA-N- Molecular formula
- C35H29N3O4
- Average molar mass
- 555.6 g/mol
- Monoisotopic mass
- 555.21580641
Names & identifiers
- Preferred name
- N-(((Diphenylacetyl)amino)(3-nitrophenyl)methyl)-2,2-diphenylacetamide
- IUPAC
- N-[[(2,2-diphenylacetyl)amino]-(3-nitrophenyl)methyl]-2,2-diphenylacetamide
Names & synonyms
303061-68-9N-(((DIPHENYLACETYL)AMINO)(3-NITROPHENYL)METHYL)-2,2-DIPHENYLACETAMIDERefChem:822701661-791-1N,N'-[(3-nitrophenyl)methylene]bis(2,2-diphenylacetamide)CBMicro_010115Oprea1_368283SMSF0014656STK245280AKOS001083687N-[[(2,2-diphenylacetyl)amino]-(3-nitrophenyl)methyl]-2,2-diphenylacetamideCB13013
Show more names
BIM-0010149.P001ST50784269Z57035605N,N'-[(3-nitrophenyl)methanediyl]bis(2,2-diphenylacetamide)N-[(2,2-diphenylacetylamino)(3-nitrophenyl)methyl]-2,2-diphenylacetamide
Database identifiers
- CAS
303061-68-9- PubChem CID
- 2268962
- EC Number
- 661-791-1
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 776
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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