3-[(3,4-Dichloroanilino)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
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Basic information
- CAS
488785-72-4- Standard SMILES
O=C(O)C1C2CCC(C2)C1C(=O)Nc1ccc(Cl)c(Cl)c1- InChIKey
HKQNHESHJCTPJH-UHFFFAOYSA-N- Molecular formula
- C15H15Cl2NO3
- Average molar mass
- 328.2 g/mol
- Monoisotopic mass
- 327.0428987
Names & identifiers
- Preferred name
- 3-[(3,4-Dichloroanilino)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
- IUPAC
- 3-[(3,4-dichlorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
- English name
- 3-[(3,4-dichloroanilino)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
- Molecular formula
- C15H15Cl2NO3
- Molecular weight
- 328.1905
Names & synonyms
3-[(3,4-dichloroanilino)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acidOprea1_812205AK-918/11909025MLS001178618CHEMBL1865040HMS2797P10AKOS003885532SMR0004765853-[(3,4-dichlorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Database identifiers
- CAS
488785-72-4- PubChem CID
- 5018742
- ChEMBL
CHEMBL1865040
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
Experimental & physicochemical properties
Solubility<0.7 [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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