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

C26H28ClFN4O3 — CID 16809905

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C(=O)NCC(c1ccco1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C26H28ClFN4O3/c27-20-9-7-19(8-10-20)11-12-29-25(33)26(34)30-18-23(24-6-3-17-35-24)32-15-13-31(14-16-32)22-5-2-1-4-21(22)28/h1-10,17,23H,11-16,18H2,(H,29,33)(H,30,34)
InChIKeyUBWBKZSQBGAYFC-UHFFFAOYSA-N
MW498.99 g/mol
LogP3.41
Rot. Bonds8

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

N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide (PubChem CID 16809905) has the molecular formula C26H28ClFN4O3 and a molecular weight of 498.99 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
PubChem CID16809905
Molecular FormulaC26H28ClFN4O3
Molecular Weight498.99 g/mol
Exact Mass498.18
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C(=O)NCC(c1ccco1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C26H28ClFN4O3/c27-20-9-7-19(8-10-20)11-12-29-25(33)26(34)30-18-23(24-6-3-17-35-24)32-15-13-31(14-16-32)22-5-2-1-4-21(22)28/h1-10,17,23H,11-16,18H2,(H,29,33)(H,30,34)
InChIKeyUBWBKZSQBGAYFC-UHFFFAOYSA-N
XLogP3.41
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.99
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234384
N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234672
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234754
N'-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 7162925
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 16809923
N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 41180929
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]-2-methylpropanamide
CID 16809937
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-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-phenylethyl)oxamide
CID 41234310
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 16809917

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide (CID 16809905) is N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide is O=C(NCCc1ccc(Cl)cc1)C(=O)NCC(c1ccco1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide?
The InChIKey is UBWBKZSQBGAYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN4O3/c27-20-9-7-19(8-10-20)11-12-29-25(33)26(34)30-18-23(24-6-3-17-35-24)32-15-13-31(14-16-32)22-5-2-1-4-21(22)28/h1-10,17,23H,11-16,18H2,(H,29,33)(H,30,34).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide?
N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide has a molecular weight of 498.99 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide is sourced from PubChem (CID 16809905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).