Basic information
- Standard SMILES
CNC(=O)c1cccc(C(N)=O)c1- InChIKey
FPDGJTILSLUJMR-UHFFFAOYSA-N- Molecular formula
- C9H10N2O2
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.07422757
Names & identifiers
- Preferred name
- N1-methylisophthalamide
- IUPAC
- 3-N-methylbenzene-1,3-dicarboxamide
Names & synonyms
N1-methylisophthalamideSCHEMBL39965SCHEMBL29350858FPDGJTILSLUJMR-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22244017
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Related reactions
1 records
Compound notes
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