N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide

C23H25FN4O4 — CID 16809923

IUPACN'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)NCC(c1ccco1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H25FN4O4/c24-18-6-1-2-7-19(18)27-9-11-28(12-10-27)20(21-8-4-14-32-21)16-26-23(30)22(29)25-15-17-5-3-13-31-17/h1-8,13-14,20H,9-12,15-16H2,(H,25,29)(H,26,30)
InChIKeyTWIHWHHHDJHUCZ-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.31
Rot. Bonds7

About N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide

N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide (PubChem CID 16809923) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide
PubChem CID16809923
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC NameN'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)NCC(c1ccco1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H25FN4O4/c24-18-6-1-2-7-19(18)27-9-11-28(12-10-27)20(21-8-4-14-32-21)16-26-23(30)22(29)25-15-17-5-3-13-31-17/h1-8,13-14,20H,9-12,15-16H2,(H,25,29)(H,26,30)
InChIKeyTWIHWHHHDJHUCZ-UHFFFAOYSA-N
XLogP2.31
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234754
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 16809937
2,6-difluoro-N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 41234350
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 16809916
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234760
N'-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 7162925
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 16809917
N-(furan-2-ylmethyl)-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217319
N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 16809905
N'-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234384
4-ethoxy-N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 41234776
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine
CID 45496819

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide (CID 16809923) is N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide is O=C(NCc1ccco1)C(=O)NCC(c1ccco1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is TWIHWHHHDJHUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c24-18-6-1-2-7-19(18)27-9-11-28(12-10-27)20(21-8-4-14-32-21)16-26-23(30)22(29)25-15-17-5-3-13-31-17/h1-8,13-14,20H,9-12,15-16H2,(H,25,29)(H,26,30).
What are the key properties of N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide?
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 440.48 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 16809923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).