[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone

C22H21ClN2O3 — CID 1012319

IUPAC[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(COc2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H21ClN2O3/c23-19-8-4-5-9-20(19)27-16-18-10-11-21(28-18)22(26)25-14-12-24(13-15-25)17-6-2-1-3-7-17/h1-11H,12-16H2
InChIKeyFHNBKGNZARSYOB-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.47
Rot. Bonds5

About [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone

[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1012319) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID1012319
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(COc2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H21ClN2O3/c23-19-8-4-5-9-20(19)27-16-18-10-11-21(28-18)22(26)25-14-12-24(13-15-25)17-6-2-1-3-7-17/h1-11H,12-16H2
InChIKeyFHNBKGNZARSYOB-UHFFFAOYSA-N
XLogP4.47
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 1012319) is [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc(COc2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is FHNBKGNZARSYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c23-19-8-4-5-9-20(19)27-16-18-10-11-21(28-18)22(26)25-14-12-24(13-15-25)17-6-2-1-3-7-17/h1-11H,12-16H2.
What are the key properties of [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 396.87 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1012319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).