[4-chloro-2-[4-(phenylacetyl)-1-piperazinyl]phenoxy]-acetic Acid

HCID 11523933
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Basic information

Standard SMILES
O=C(O)COc1ccc(Cl)cc1N1CCN(C(=O)Cc2ccccc2)CC1
InChIKey
KZWUJVNNRAMFCJ-UHFFFAOYSA-N
Molecular formula
C20H21ClN2O4
Average molar mass
388.8 g/mol

Names & identifiers

Preferred name
[4-chloro-2-[4-(phenylacetyl)-1-piperazinyl]phenoxy]-acetic Acid
IUPAC
2-[4-chloro-2-[4-(2-phenylacetyl)piperazin-1-yl]phenoxy]acetic acid

Names & synonyms

SCHEMBL1714185KZWUJVNNRAMFCJ-UHFFFAOYSA-N[4-chloro-2-[4-(phenylacetyl)-1-piperazinyl]phenoxy]-acetic Acid

Database identifiers

PubChem CID
11523933

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
70.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
27

Related reactions

1 records
New reaction record

Compound notes

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