N-[6-chloro-2-(4-cyanophenylamino)pyrimidin-4-yl]benzamide

HCID 71465002

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

Related reactions

3 records

Compound notes

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