1-({3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)azetidin-3-amine

HCID 16221889
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Basic information

Standard SMILES
NC1CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1
InChIKey
AMKMWZPNFOTRDH-UHFFFAOYSA-N
Molecular formula
C16H13F3IN3O
Average molar mass
447.19 g/mol
Monoisotopic mass
447.00554

Names & identifiers

Preferred name
1-({3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)azetidin-3-amine
IUPAC
(3-aminoazetidin-1-yl)-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanone

Names & synonyms

SCHEMBL188585SCHEMBL30220857AMKMWZPNFOTRDH-UHFFFAOYSA-N1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)azetidin-3-amine

Database identifiers

PubChem CID
16221889

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
58.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
24

Related reactions

20 records
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Linked notes

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