[4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone

C21H24F2N2O2 — CID 118791120

IUPAC[4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone
SMILESCCOCCN1CCN(C(=O)c2ccc(-c3cccc(F)c3F)cc2)CC1
InChIInChI=1S/C21H24F2N2O2/c1-2-27-15-14-24-10-12-25(13-11-24)21(26)17-8-6-16(7-9-17)18-4-3-5-19(22)20(18)23/h3-9H,2,10-15H2,1H3
InChIKeyYJISDIUIZQGFFU-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.43
Rot. Bonds6

About [4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone

[4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone (PubChem CID 118791120) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is [4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone
PubChem CID118791120
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name[4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone
SMILESCCOCCN1CCN(C(=O)c2ccc(-c3cccc(F)c3F)cc2)CC1
InChIInChI=1S/C21H24F2N2O2/c1-2-27-15-14-24-10-12-25(13-11-24)21(26)17-8-6-16(7-9-17)18-4-3-5-19(22)20(18)23/h3-9H,2,10-15H2,1H3
InChIKeyYJISDIUIZQGFFU-UHFFFAOYSA-N
XLogP3.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone
CID 111439654
[5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 42845831
(3,4-diethoxyphenyl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 19292850
[4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 118794181
[4-[2-[[3-fluoro-5-[(2-fluorophenyl)methyl]phenyl]methoxy]ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 139325043
[4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 77089806
2-[3-[4-(2-ethoxyethyl)piperazine-1-carbonyl]phenyl]pyridine-3-carbonitrile
CID 119062818
[4-(2-fluoro-3-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 86272213
(3-fluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]-1,4-diazepan-1-yl]methanone
CID 111439517
[4-(2-fluoro-3-hydroxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 139377478
(4-fluorophenyl)-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]methanone
CID 110413339
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone (CID 118791120) is [4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone is CCOCCN1CCN(C(=O)c2ccc(-c3cccc(F)c3F)cc2)CC1.
What is the InChIKey of [4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone?
The InChIKey is YJISDIUIZQGFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-2-27-15-14-24-10-12-25(13-11-24)21(26)17-8-6-16(7-9-17)18-4-3-5-19(22)20(18)23/h3-9H,2,10-15H2,1H3.
What are the key properties of [4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone?
[4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone has a molecular weight of 374.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 118791120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).