Basic information
- CAS
1404118-66-6- Standard SMILES
N#Cc1ccc(Nc2nc(Cl)cc(NC(=O)c3ccccc3)n2)cc1- InChIKey
WPOKHSOYPFOLGK-UHFFFAOYSA-N- Molecular formula
- C18H12ClN5O
- Average molar mass
- 349.8 g/mol
Names & identifiers
- Preferred name
- N-[6-chloro-2-(4-cyanophenylamino)pyrimidin-4-yl]benzamide
- IUPAC
- N-[6-chloro-2-(4-cyanoanilino)pyrimidin-4-yl]benzamide
Names & synonyms
1404118-66-6T8JGD5T6ARSCHEMBL13730230WPOKHSOYPFOLGK-UHFFFAOYSA-N6-Benzoylamino-4-chloro-2-(4-cyanophenyl amino) pyrimidineN-[6-chloro-2-(4-cyanophenylamino)pyrimidin-4-yl]benzamideN-[6-Chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]benzamideBenzamide, N-[6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]-
Database identifiers
- CAS
1404118-66-6- PubChem CID
- 71465002
- UNII
- T8JGD5T6AR
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 493
Related reactions
3 records
Compound notes
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