2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide

C22H23F2N3O2 — CID 51192228

IUPAC2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C22H23F2N3O2/c23-18-8-9-19(20(24)15-18)22(29)25-16-21(28)27-13-11-26(12-14-27)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2,(H,25,29)/b7-4+
InChIKeySSTBZNBLMKWJSQ-QPJJXVBHSA-N
MW399.44 g/mol
LogP2.55
Rot. Bonds6

About 2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide

2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide (PubChem CID 51192228) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide
PubChem CID51192228
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C22H23F2N3O2/c23-18-8-9-19(20(24)15-18)22(29)25-16-21(28)27-13-11-26(12-14-27)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2,(H,25,29)/b7-4+
InChIKeySSTBZNBLMKWJSQ-QPJJXVBHSA-N
XLogP2.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide
CID 112994563
2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 112994572
2-(2-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 112994571
3,5-dimethoxy-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]benzamide
CID 2999114
1-[(2,4-difluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 2838695
2-(4-methylphenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 112994575
N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 134020822
2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 24596002
2-(2-fluorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 112977261
N-[2-(4-fluorophenyl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108985311
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 6466016

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide (CID 51192228) is 2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide?
The InChIKey is SSTBZNBLMKWJSQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c23-18-8-9-19(20(24)15-18)22(29)25-16-21(28)27-13-11-26(12-14-27)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2,(H,25,29)/b7-4+.
What are the key properties of 2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide?
2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 399.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 51192228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).