2-{4-[3-(3,4-Dichlorophenyl)-propyl]phenylamino}benzoic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)c1ccccc1Nc1ccc(CCCc2ccc(Cl)c(Cl)c2)cc1- InChIKey
YKWCHZDFVDFWGI-UHFFFAOYSA-N- Molecular formula
- C23H21Cl2NO2
- Average molar mass
- 414.3 g/mol
Names & identifiers
- Preferred name
- 2-{4-[3-(3,4-Dichlorophenyl)-propyl]phenylamino}benzoic acid methyl ester
- IUPAC
- methyl 2-[4-[3-(3,4-dichlorophenyl)propyl]anilino]benzoate
Names & synonyms
SCHEMBL6474311YKWCHZDFVDFWGI-UHFFFAOYSA-N2-{4-[3-(3,4-dichlorophenyl)-propyl]phenylamino}benzoic acid methyl ester2-{4-[3-(3,4-Dichlorophenyl)propyl]phenylamino}-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 54513625
Properties
Computed structural propertiesFilling in
- XLogP
- 7.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 481
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Related reactions
4 records
Compound notes
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