Basic information
- CAS
881674-67-5- Standard SMILES
O=C(CCl)Nc1cccc(Nc2nccc(-c3ccncc3)n2)c1- InChIKey
RNRBBBOPPKFHDX-UHFFFAOYSA-N- Molecular formula
- C17H14ClN5O
- Average molar mass
- 339.8 g/mol
- Monoisotopic mass
- 339.0886878
Names & identifiers
- Preferred name
- 2-Chloro-N-[3-[[4-(4-pyridinyl)-2-pyrimidinyl]amino]phenyl]acetamide
- IUPAC
- 2-chloro-N-[3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
Names & synonyms
881674-67-5SCHEMBL4895446DTXSID6011585652-Chloro-N-[3-[[4-(4-pyridinyl)-2-pyrimidinyl]amino]phenyl]acetamide2-Chloro-N-(3-{[4-(pyridin-4-yl)pyrimidin-2-yl]amino}phenyl)acetamide
Database identifiers
- CAS
881674-67-5- PubChem CID
- 11522945
- DTXSID
DTXSID601158565
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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