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

C23H23ClFN3O2 — CID 16809868

IUPAC4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClFN3O2/c24-18-5-3-17(4-6-18)23(29)26-16-21(22-2-1-15-30-22)28-13-11-27(12-14-28)20-9-7-19(25)8-10-20/h1-10,15,21H,11-14,16H2,(H,26,29)
InChIKeyWMBXOIFUZHWEAI-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.37
Rot. Bonds6

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

4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide (PubChem CID 16809868) has the molecular formula C23H23ClFN3O2 and a molecular weight of 427.91 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
PubChem CID16809868
Molecular FormulaC23H23ClFN3O2
Molecular Weight427.91 g/mol
Exact Mass427.15
IUPAC Name4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClFN3O2/c24-18-5-3-17(4-6-18)23(29)26-16-21(22-2-1-15-30-22)28-13-11-27(12-14-28)20-9-7-19(25)8-10-20/h1-10,15,21H,11-14,16H2,(H,26,29)
InChIKeyWMBXOIFUZHWEAI-UHFFFAOYSA-N
XLogP4.37
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 41234538
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 7163045
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-nitrobenzamide
CID 41234708
N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234672
4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 41234704
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 16809917
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
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-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]propanamide
CID 16809877
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 16809878
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234278

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide (CID 16809868) is 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide is O=C(NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is WMBXOIFUZHWEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O2/c24-18-5-3-17(4-6-18)23(29)26-16-21(22-2-1-15-30-22)28-13-11-27(12-14-28)20-9-7-19(25)8-10-20/h1-10,15,21H,11-14,16H2,(H,26,29).
What are the key properties of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide?
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 427.91 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 16809868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).