2-Benzyl-N-(4-fluoro-phenyl)-succinamic acid
Basic information
- CAS
332849-44-2- Standard SMILES
O=C(CC(Cc1ccccc1)C(=O)O)Nc1ccc(F)cc1- InChIKey
FWIQVBCMXHWGTN-UHFFFAOYSA-N- Molecular formula
- C17H16FNO3
- Average molar mass
- 301.31 g/mol
- Monoisotopic mass
- 301.11142153
Names & identifiers
- Preferred name
- 2-Benzyl-N-(4-fluoro-phenyl)-succinamic acid
- IUPAC
- 2-benzyl-4-(4-fluoroanilino)-4-oxobutanoic acid
- English name
- 2-BENZYL-N-(4-FLUORO-PHENYL)-SUCCINAMIC ACID
- Molecular formula
- C17H16FNO3
- Molecular weight
- 301.31
Names & synonyms
332849-44-22-Benzyl-N-(4-fluoro-phenyl)-succinamic acid2-Benzyl-4-((4-fluorophenyl)amino)-4-oxobutanoic acid2-benzyl-4-(4-fluoroanilino)-4-oxobutanoic acid2-benzyl-4-[(4-fluorophenyl)amino]-4-oxobutanoic acidHMS2829A08Oprea1_462201Oprea1_596305MLS001209150CHEMBL1542545DTXSID50389655STL448740
Show more names
Benzenepropanoic acid, α-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-
AKOS000301120AKOS022003843SMR000517020CS-0365079EU-0080831ST50010137AG-690/154444722-benzyl-4-(4-fluoroanilino)-4-oxo-butanoic acid
Database identifiers
- CAS
332849-44-2- PubChem CID
- 3133541
- DTXSID
DTXSID50389655- ChEMBL
CHEMBL1542545
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 374
Experimental & physicochemical properties
Solubility>45.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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