Basic information
- CAS
433326-87-5- Standard SMILES
Cc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)o1- InChIKey
RNEYXJARGPIERD-UHFFFAOYSA-N- Molecular formula
- C14H13NO4
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.0844579
Names & identifiers
- Preferred name
- 4-(((5-Methyl-2-furanyl)carbonyl)amino)benzeneacetic acid
- IUPAC
- 2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid
Names & synonyms
433326-87-54-[[(5-Methyl-2-furanyl)carbonyl]amino]benzeneacetic acid4-(((5-Methyl-2-furanyl)carbonyl)amino)benzeneacetic acidRefChem:286248{4-[(5-methyl-2-furoyl)amino]phenyl}acetic acid2-(4-(5-Methylfuran-2-carboxamido)phenyl)acetic acidMFCD016190112-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid(4-[(5-Methyl-2-furoyl)amino]phenyl)acetic acid2-[4-(5-methylfuran-2-amido)phenyl]acetic acid[4-[(5-METHYL-2-FUROYL)AMINO]PHENYL]ACETIC ACIDbenzeneacetic acid, 4-[[(5-methyl-2-furanyl)carbonyl]amino]-
Show more names
2-{4-[(5-methyl-2-furyl)carbonylamino]phenyl}acetic acidCambridge id 6941289Oprea1_349377Oprea1_620304MLS000523262CHEMBL1408206SCHEMBL12698771{4-[(5-Methyl-furan-2-carbonyl)-amino]-phenyl}-acetic acid
Database identifiers
- CAS
433326-87-5- PubChem CID
- 800730
- DTXSID
DTXSID401195907- ChEMBL
CHEMBL1408206
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…