2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide

C23H23F5N4O3 — CID 41492581

IUPAC2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide
SMILESO=C(CN1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H23F5N4O3/c24-15-5-6-16(18(25)13-15)22(35)29-8-7-21(34)32-11-9-31(10-12-32)14-20(33)30-19-4-2-1-3-17(19)23(26,27)28/h1-6,13H,7-12,14H2,(H,29,35)(H,30,33)
InChIKeySSVJYTODZJSWNA-UHFFFAOYSA-N
MW498.45 g/mol
LogP2.89
Rot. Bonds7

About 2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide

2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide (PubChem CID 41492581) has the molecular formula C23H23F5N4O3 and a molecular weight of 498.45 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide
PubChem CID41492581
Molecular FormulaC23H23F5N4O3
Molecular Weight498.45 g/mol
Exact Mass498.17
IUPAC Name2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide
SMILESO=C(CN1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H23F5N4O3/c24-15-5-6-16(18(25)13-15)22(35)29-8-7-21(34)32-11-9-31(10-12-32)14-20(33)30-19-4-2-1-3-17(19)23(26,27)28/h1-6,13H,7-12,14H2,(H,29,35)(H,30,33)
InChIKeySSVJYTODZJSWNA-UHFFFAOYSA-N
XLogP2.89
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880
N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]furan-2-carboxamide
CID 27849332
3-fluoro-N-[2-oxo-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]ethyl]benzamide
CID 24547580
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27162104
2,4-difluoro-N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 55428497
2,4-difluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8896585
2-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17497037
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429545
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30501843
N-[2-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]phenyl]pyrrolidine-1-carboxamide
CID 55736984
2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27849605
2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 55513642

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide (CID 41492581) is 2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide is O=C(CN1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide?
The InChIKey is SSVJYTODZJSWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F5N4O3/c24-15-5-6-16(18(25)13-15)22(35)29-8-7-21(34)32-11-9-31(10-12-32)14-20(33)30-19-4-2-1-3-17(19)23(26,27)28/h1-6,13H,7-12,14H2,(H,29,35)(H,30,33).
What are the key properties of 2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide?
2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide has a molecular weight of 498.45 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 41492581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).