1-(3,5-Dichlorophenyl)-3-[1-(4,4-difluorocyclohexanecarbonyl)-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

HCID 77251908
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C(=O)N(C)C1CN(C(=O)C2CCC(F)(F)CC2)CC1c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1
InChIKey
MWAZGPWQYAGNJO-UHFFFAOYSA-N
Molecular formula
C26H28Cl2F3N3O2
Average molar mass
542.4 g/mol
Monoisotopic mass
541.151067

Names & identifiers

Preferred name
1-(3,5-Dichlorophenyl)-3-[1-(4,4-difluorocyclohexanecarbonyl)-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea
IUPAC
1-(3,5-dichlorophenyl)-3-[1-(4,4-difluorocyclohexanecarbonyl)-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

Database identifiers

PubChem CID
77251908

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
43.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
36

Related reactions

1 records
New reaction record

Linked notes

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