Basic information
- CAS
787564-10-7- Standard SMILES
CCOC(=O)C(NC(=O)c1ccc(C)c(F)c1)C(=O)OCC- InChIKey
WFTPVVHGJYMECI-UHFFFAOYSA-N- Molecular formula
- C15H18FNO5
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11690084
Names & identifiers
- Preferred name
- Diethyl (3-fluoro-4-methylbenzoyl)aminomalonate
- IUPAC
- diethyl 2-[(3-fluoro-4-methylbenzoyl)amino]propanedioate
Names & synonyms
SCHEMBL5784569WFTPVVHGJYMECI-UHFFFAOYSA-NDTXSID201185374787564-10-7Diethyl (3-fluoro-4-methylbenzoyl)aminomalonateDiethyl (3-fluoro-4-methylbenzamido)propanedioate2-(3-fluoro-4-methylbenzoyl)aminomalonic acid diethyl ester1,3-Diethyl 2-[(3-fluoro-4-methylbenzoyl)amino]propanedioate
Database identifiers
- CAS
787564-10-7- PubChem CID
- 33249397
- DTXSID
DTXSID201185374
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 397
Related reactions
5 records
Compound notes
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