(E)-2-(2-chloro-6-fluorobenzamido)-5-[4-(methyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid methyl ester

HCID 57762534
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Basic information

Standard SMILES
COC(=O)C(C/C=C/c1ccc(N(C)c2ncccn2)cc1)NC(=O)c1c(F)cccc1Cl
InChIKey
YUKZLOZNHNORFY-ZZXKWVIFSA-N
Molecular formula
C24H22ClFN4O3
Average molar mass
468.9 g/mol
Monoisotopic mass
468.1364464

Names & identifiers

Preferred name
(E)-2-(2-chloro-6-fluorobenzamido)-5-[4-(methyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid methyl ester
IUPAC
methyl (E)-2-[(2-chloro-6-fluorobenzoyl)amino]-5-[4-[methyl(pyrimidin-2-yl)amino]phenyl]pent-4-enoate

Names & synonyms

SCHEMBL1121024YUKZLOZNHNORFY-ZZXKWVIFSA-N(E)-2-(2-chloro-6-fluorobenzamido)-5-[4-(methyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid methyl ester

Database identifiers

PubChem CID
57762534

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
84.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
33

Related reactions

4 records
New reaction record

Compound notes

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