[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone

C21H23ClF2N2O4 — CID 27847235

IUPAC[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
SMILESCOc1cc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)ccc1OC(F)F
InChIInChI=1S/C21H23ClF2N2O4/c1-28-19-14-15(2-7-18(19)30-21(23)24)20(27)26-10-8-25(9-11-26)12-13-29-17-5-3-16(22)4-6-17/h2-7,14,21H,8-13H2,1H3
InChIKeyIILJXCVWVJUBSV-UHFFFAOYSA-N
MW440.87 g/mol
LogP3.79
Rot. Bonds8

About [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone

[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone (PubChem CID 27847235) has the molecular formula C21H23ClF2N2O4 and a molecular weight of 440.87 g/mol. Its IUPAC name is [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone.

Molecular Properties

Compound Name[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
PubChem CID27847235
Molecular FormulaC21H23ClF2N2O4
Molecular Weight440.87 g/mol
Exact Mass440.13
IUPAC Name[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
SMILESCOc1cc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)ccc1OC(F)F
InChIInChI=1S/C21H23ClF2N2O4/c1-28-19-14-15(2-7-18(19)30-21(23)24)20(27)26-10-8-25(9-11-26)12-13-29-17-5-3-16(22)4-6-17/h2-7,14,21H,8-13H2,1H3
InChIKeyIILJXCVWVJUBSV-UHFFFAOYSA-N
XLogP3.79
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.87
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone with MolForge

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Related Compounds

[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 27847337
[4-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 71571421
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 21275342
(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415
2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl 2-(4-chlorophenoxy)acetate
CID 110180794
(3,4-dimethoxyphenyl)-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methanone
CID 32577025
(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
CID 119376566
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 9105975
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 9100615
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371
(3-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638153

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone?
The IUPAC name of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone (CID 27847235) is [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone.
What is the SMILES notation for [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone?
The canonical SMILES for [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone is COc1cc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)ccc1OC(F)F.
What is the InChIKey of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone?
The InChIKey is IILJXCVWVJUBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF2N2O4/c1-28-19-14-15(2-7-18(19)30-21(23)24)20(27)26-10-8-25(9-11-26)12-13-29-17-5-3-16(22)4-6-17/h2-7,14,21H,8-13H2,1H3.
What are the key properties of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone?
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone has a molecular weight of 440.87 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone is sourced from PubChem (CID 27847235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).