1-[4-[2-(4-Bromo-3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
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Basic information
- CAS
928713-17-1- Standard SMILES
Cc1cc(NC(=O)COc2ccc(N3CC(C(=O)O)CC3=O)cc2)ccc1Br- InChIKey
FITBMKJLSVAQMY-UHFFFAOYSA-N- Molecular formula
- C20H19BrN2O5
- Average molar mass
- 447.3 g/mol
- Monoisotopic mass
- 446.04773
Names & identifiers
- Preferred name
- 1-[4-[2-(4-Bromo-3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- 1-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
- English name
- ASISCHEM D19336
- Molecular formula
- C20H19BrN2O5
- Molecular weight
- 447.28
Names & synonyms
928713-17-1ASISCHEM D193361-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid1-[4-[2-[(4-BROMO-3-METHYLPHENYL)AMINO]-2-OXOETHOXY]PHENYL]-5-OXO-3-PYRROLIDINECARBOXYLIC ACID3-PYRROLIDINECARBOXYLIC ACID, 1-[4-[2-[(4-BROMO-3-METHYLPHENYL)AMINO]-2-OXOETHOXY]PHENYL]-5-OXO-
Database identifiers
- CAS
928713-17-1- PubChem CID
- 17608024
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
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Compound notes
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