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

C23H23F2N3O2 — CID 16809917

IUPAC4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H23F2N3O2/c24-18-9-7-17(8-10-18)23(29)26-16-21(22-6-3-15-30-22)28-13-11-27(12-14-28)20-5-2-1-4-19(20)25/h1-10,15,21H,11-14,16H2,(H,26,29)
InChIKeyITXOXRCQUXWSMK-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.85
Rot. Bonds6

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

4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide (PubChem CID 16809917) has the molecular formula C23H23F2N3O2 and a molecular weight of 411.45 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
PubChem CID16809917
Molecular FormulaC23H23F2N3O2
Molecular Weight411.45 g/mol
Exact Mass411.18
IUPAC Name4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H23F2N3O2/c24-18-9-7-17(8-10-18)23(29)26-16-21(22-6-3-15-30-22)28-13-11-27(12-14-28)20-5-2-1-4-19(20)25/h1-10,15,21H,11-14,16H2,(H,26,29)
InChIKeyITXOXRCQUXWSMK-UHFFFAOYSA-N
XLogP3.85
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 41234776
2,6-difluoro-N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 41234350
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234754
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 16809868
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 16809937
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 16809916
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 16809923
N'-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 7162925
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 7163045
4-fluoro-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
CID 94793640
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-nitrobenzamide
CID 41234708
N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 16809905

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide (CID 16809917) is 4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide is O=C(NCC(c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is ITXOXRCQUXWSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O2/c24-18-9-7-17(8-10-18)23(29)26-16-21(22-6-3-15-30-22)28-13-11-27(12-14-28)20-5-2-1-4-19(20)25/h1-10,15,21H,11-14,16H2,(H,26,29).
What are the key properties of 4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide?
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 411.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 16809917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).