Basic information
- CAS
433955-66-9- Standard SMILES
Cc1cc(C)nc(NC(=O)/C=C/c2ccc(Cl)cc2)n1- InChIKey
FAFOEXALJFIITR-VMPITWQZSA-N- Molecular formula
- C15H14ClN3O
- Average molar mass
- 287.74 g/mol
- Monoisotopic mass
- 287.0825398
Names & identifiers
- Preferred name
- (E)-3-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
- IUPAC
- (E)-3-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
Names & synonyms
(E)-3-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acrylamide(2E)-3-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide(E)-3-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide433955-66-9MLS000769120CHEMBL1428137DTXSID901330223HMS2776L15STK163785AKOS003196192SMR000433855AA-504/32991063
Show more names
3-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrimidinyl)acrylamide(E)-3-(4-Chloro-phenyl)-N-(4,6-dimethyl-pyrimidin-2-yl)-acrylamide
Database identifiers
- CAS
433955-66-9- PubChem CID
- 930989
- DTXSID
DTXSID901330223- ChEMBL
CHEMBL1428137
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Experimental & physicochemical properties
Solubility42.1 [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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