4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide

C25H28FN3O3 — CID 41234704

IUPAC4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H28FN3O3/c1-2-31-22-11-5-19(6-12-22)25(30)27-18-23(24-4-3-17-32-24)29-15-13-28(14-16-29)21-9-7-20(26)8-10-21/h3-12,17,23H,2,13-16,18H2,1H3,(H,27,30)/t23-/m0/s1
InChIKeyIRHZCYJDODLDMD-QHCPKHFHSA-N
MW437.52 g/mol
LogP4.11
Rot. Bonds8

About 4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide

4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide (PubChem CID 41234704) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
PubChem CID41234704
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H28FN3O3/c1-2-31-22-11-5-19(6-12-22)25(30)27-18-23(24-4-3-17-32-24)29-15-13-28(14-16-29)21-9-7-20(26)8-10-21/h3-12,17,23H,2,13-16,18H2,1H3,(H,27,30)/t23-/m0/s1
InChIKeyIRHZCYJDODLDMD-QHCPKHFHSA-N
XLogP4.11
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 7163045
4-ethoxy-N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 41234776
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 16809868
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-nitrobenzamide
CID 41234708
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]propanamide
CID 16809877
4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 41234538
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]acetamide
CID 7162857
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 7162865
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 7162803
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 16809878
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 16809917
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
CID 7525551

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide (CID 41234704) is 4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide is CCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is IRHZCYJDODLDMD-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-2-31-22-11-5-19(6-12-22)25(30)27-18-23(24-4-3-17-32-24)29-15-13-28(14-16-29)21-9-7-20(26)8-10-21/h3-12,17,23H,2,13-16,18H2,1H3,(H,27,30)/t23-/m0/s1.
What are the key properties of 4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide?
4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 437.52 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 41234704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).