1-Benzyl-3-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrole-2,5-dione
Basic information
- CAS
303035-16-7- Standard SMILES
COc1ccc(CCNC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1OC- InChIKey
SSQYJMGGFSLAGR-UHFFFAOYSA-N- Molecular formula
- C21H21ClN2O4
- Average molar mass
- 400.9 g/mol
Names & identifiers
- Preferred name
- 1-Benzyl-3-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrole-2,5-dione
- IUPAC
- 1-benzyl-3-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrole-2,5-dione
- English name
- 1-benzyl-3-chloro-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1H-pyrrole-2,5-dione
- Molecular formula
- C21H21ClN2O4
- Molecular weight
- 400.86
Names & synonyms
MLS0006846221-benzyl-3-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrole-2,5-dione1-benzyl-3-chloro-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1H-pyrrole-2,5-dioneSMR000268499AF-399/14183769CHEMBL1582739BDBM90375cid_1033988HMS2615L03AKOS001673820ST503237131-benzyl-3-chloro-4-(homoveratrylamino)-3-pyrroline-2,5-quinone
Show more names
1H-Pyrrole-2,5-dione, 3-chloro-4-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-1-(phenylmethyl)-
3-chloranyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(phenylmethyl)pyrrole-2,5-dione3-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(phenylmethyl)pyrrole-2,5-dione4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-chloro-1-benzylazoline-2,5-dione1-BENZYL-3-CHLORO-4-{[2-(3,4-DIMETHOXYPHENYL)ETHYL]AMINO}-2,5-DIHYDRO-1H-PYRROLE-2,5-DIONE303035-16-7
Database identifiers
- CAS
303035-16-7- ChEMBL
CHEMBL1582739
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 603
Physicochemical properties
- Boiling point
- 538.9 · 538.9±50.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- -0.36 · -0.36±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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