2-[(3,4-Dimethoxybenzoyl)amino]benzoic acid
Basic information
- CAS
75586-79-7- Standard SMILES
COc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1OC- InChIKey
HCSUTOBTBPLLLG-UHFFFAOYSA-N- Molecular formula
- C16H15NO5
- Average molar mass
- 301.29 g/mol
- Monoisotopic mass
- 301.09502258
Names & identifiers
- Preferred name
- 2-[(3,4-Dimethoxybenzoyl)amino]benzoic acid
- IUPAC
- 2-[(3,4-dimethoxybenzoyl)amino]benzoic acid
- English name
- 2-(3,4-Dimethoxy-benzoylamino)-benzoic acid
- Molecular formula
- C16H15NO5
- Molecular weight
- 301.29
Names & synonyms
2-[(3,4-dimethoxybenzoyl)amino]benzoic acid75586-79-7Kinome_2735CBChromo1_000115Oprea1_653436CBDivE_001761CHEMBL1997495SCHEMBL10026584STK058743AKOS000374041ST509954392-(3,4-DIMETHOXYBENZAMIDO)BENZOIC ACID
Show more names
2-(3,4-Dimethoxy-benzoylamino)-benzoic acidBenzoic acid, 2-[(3,4-dimethoxybenzoyl)amino]-
SR-010003905402-[(3,4-dimethoxyphenyl)carbonylamino]benzoic acidSR-01000390540-12-{[(3,4-dimethoxyphenyl)carbonyl]amino}benzoic acid
Database identifiers
- CAS
75586-79-7- PubChem CID
- 745798
- ChEMBL
CHEMBL1997495
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Boiling point
- 424.8 · 424.8±45.0 °C(Predicted)
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- pka
- 3.45 · 3.45±0.36(Predicted)
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Compound notes
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