Basic information
- CAS
168080-73-7- Standard SMILES
CCOC(=O)c1ccc(NC(=O)c2ccccc2C)cc1- InChIKey
RECWKGFLXTXYQR-UHFFFAOYSA-N- Molecular formula
- C17H17NO3
- Average molar mass
- 283.32 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[(2-methylbenzoyl)amino]benzoate
- IUPAC
- ethyl 4-[(2-methylbenzoyl)amino]benzoate
- English name
- ethyl 4-[(2-methylbenzoyl)amino]benzoate
- Molecular formula
- C17H17NO3
- Molecular weight
- 283.32178
Names & synonyms
ethyl 4-[(2-methylbenzoyl)amino]benzoate168080-73-7ethyl 4-(2-methylbenzamido)benzoateOprea1_054194Oprea1_382651MLS000698331SCHEMBL5232976CHEMBL1531619RECWKGFLXTXYQR-UHFFFAOYSA-NHMS2513I23HMS3375P07STK402125
Show more names
4-(2-METHYL-BENZOYLAMINO)-BENZOIC ACID ETHYL ESTER
AKOS001218019SMR000227550ethyl 4-[(2-methylbenzoyl)-amino]benzoateST4011493EU-0036139ethyl 4-[(2-methylphenyl)carbonylamino]benzoateAK-968/40025579ethyl 4-{[(2-methylphenyl)carbonyl]amino}benzoate
Database identifiers
- CAS
168080-73-7- PubChem CID
- 689910
- ChEMBL
CHEMBL1531619- EC Number
- 159-582-0
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Safety & regulation
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Suppliers1 total
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
25 records
Compound notes
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