Basic information
- CAS
80094-76-4- Standard SMILES
O=C(Nc1ccccc1Cl)c1cccc(C(=O)Nc2ccccc2Cl)c1- InChIKey
PJORMXFEQHUKMJ-UHFFFAOYSA-N- Molecular formula
- C20H14Cl2N2O2
- Average molar mass
- 385.2 g/mol
- Monoisotopic mass
- 384.0432331
Names & identifiers
- Preferred name
- N~1~,N~3~-bis(2-chlorophenyl)isophthalamide
- IUPAC
- 1-N,3-N-bis(2-chlorophenyl)benzene-1,3-dicarboxamide
Names & synonyms
N~1~,N~3~-bis(2-chlorophenyl)isophthalamideCambridge id 5346566Oprea1_8370071-N,3-N-bis(2-chlorophenyl)benzene-1,3-dicarboxamideSTK395876AKOS001604028ST011861EU-0035560AB00081824-01AG-205/32424061SR-01000407032N,N'-bis(2-chlorophenyl)benzene-1,3-dicarboxamide
Show more names
SR-01000407032-1N~1~,N~3~-bis(2-chlorophenyl)benzene-1,3-dicarboxamideN-(2-chlorophenyl){3-[N-(2-chlorophenyl)carbamoyl]phenyl}carboxamide80094-76-4
Database identifiers
- CAS
80094-76-4- PubChem CID
- 984615
- EC Number
- 163-656-8
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 460
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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