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(5-Amino-2-methyl-phenyl)-[2-chloro-4-(2-chloro-4-fluoro-phenylamino)-phenyl]-methanone

HCID 68417005
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1ccc(N)cc1C(=O)c1ccc(Nc2ccc(F)cc2Cl)cc1Cl
InChIKey
LPOKXTBBABNCHL-UHFFFAOYSA-N
Molecular formula
C20H15Cl2FN2O
Average molar mass
389.2 g/mol

Names & identifiers

Preferred name
(5-Amino-2-methyl-phenyl)-[2-chloro-4-(2-chloro-4-fluoro-phenylamino)-phenyl]-methanone
IUPAC
(5-amino-2-methylphenyl)-[2-chloro-4-(2-chloro-4-fluoroanilino)phenyl]methanone

Names & synonyms

SCHEMBL2851969LPOKXTBBABNCHL-UHFFFAOYSA-N(5-Amino-2-methyl-phenyl)-[2-chloro-4-(2-chloro-4-fluoro-phenylamino)-phenyl]-methanone

Database identifiers

PubChem CID
68417005

Properties

Computed structural propertiesFilling in

XLogP
5.8
Topological polar surface area
55.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Formal charge
0
Complexity
494

Related reactions

3 records
New reaction record
HRID 1221398 reaction equation
HRID 1221398As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2067214 reaction equation
HRID 2067214As productuspto-grants-2012_10
HRID 2067215 reaction equation
HRID 2067215As reactantuspto-grants-2012_10

Compound notes

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