2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide

C24H31FN4O3 — CID 18452677

IUPAC2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide
SMILESO=C(CN1CCN(CC(O)CNC(=O)c2ccccc2F)CC1)NCCc1ccccc1
InChIInChI=1S/C24H31FN4O3/c25-22-9-5-4-8-21(22)24(32)27-16-20(30)17-28-12-14-29(15-13-28)18-23(31)26-11-10-19-6-2-1-3-7-19/h1-9,20,30H,10-18H2,(H,26,31)(H,27,32)
InChIKeyNMSUIYNWXFWLLA-UHFFFAOYSA-N
MW442.54 g/mol
LogP0.89
Rot. Bonds10

About 2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide

2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide (PubChem CID 18452677) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide
PubChem CID18452677
Molecular FormulaC24H31FN4O3
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC Name2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide
SMILESO=C(CN1CCN(CC(O)CNC(=O)c2ccccc2F)CC1)NCCc1ccccc1
InChIInChI=1S/C24H31FN4O3/c25-22-9-5-4-8-21(22)24(32)27-16-20(30)17-28-12-14-29(15-13-28)18-23(31)26-11-10-19-6-2-1-3-7-19/h1-9,20,30H,10-18H2,(H,26,31)(H,27,32)
InChIKeyNMSUIYNWXFWLLA-UHFFFAOYSA-N
XLogP0.89
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide with MolForge

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Related Compounds

2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide
CID 111488179
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 22195654
2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9257577
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide
CID 108995730
N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
CID 39359576
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 30653596
2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404026
N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 17391707

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide (CID 18452677) is 2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide is O=C(CN1CCN(CC(O)CNC(=O)c2ccccc2F)CC1)NCCc1ccccc1.
What is the InChIKey of 2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide?
The InChIKey is NMSUIYNWXFWLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3/c25-22-9-5-4-8-21(22)24(32)27-16-20(30)17-28-12-14-29(15-13-28)18-23(31)26-11-10-19-6-2-1-3-7-19/h1-9,20,30H,10-18H2,(H,26,31)(H,27,32).
What are the key properties of 2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide?
2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide has a molecular weight of 442.54 g/mol, XLogP of 0.89, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 18452677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).