Methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate
Basic information
- CAS
519168-08-2- Standard SMILES
COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CC(C)O2- InChIKey
UPJRWHDJRHDXEL-UHFFFAOYSA-N- Molecular formula
- C18H17NO4
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11575802
Names & identifiers
- Preferred name
- Methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate
- IUPAC
- methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate
Names & synonyms
519168-08-2methyl 2-(2-methyl-2,3-dihydrobenzofuran-5-carboxamido)benzoateEnamine_003665methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoateMLS001208339CHEMBL1416299DTXSID601331389HMS1404G13HMS2844K10STL511323AKOS000663994AKOS024306349
Show more names
IDI1_007308SMR000524232ST50285318Z56849403methyl 2-[(2-methyl-2,3-dihydrobenzo[b]furan-5-yl)carbonylamino]benzoate2-[(2-Methyl-2,3-dihydro-benzofuran-5-carbonyl)-amino]-benzoic acid methyl estermethyl 2-{[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]amino}benzoate
Database identifiers
- CAS
519168-08-2- PubChem CID
- 2925014
- DTXSID
DTXSID601331389- ChEMBL
CHEMBL1416299
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Experimental & physicochemical properties
Solubility2.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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