4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide

C21H24F2N4O3 — CID 86969612

IUPAC4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide
SMILESCC(C(=O)Nc1ccccc1OC(F)F)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C21H24F2N4O3/c1-14(20(29)25-17-4-2-3-5-18(17)30-21(22)23)26-10-12-27(13-11-26)16-8-6-15(7-9-16)19(24)28/h2-9,14,21H,10-13H2,1H3,(H2,24,28)(H,25,29)
InChIKeyXQMYUCGFKMVHJG-UHFFFAOYSA-N
MW418.44 g/mol
LogP2.54
Rot. Bonds7

About 4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide

4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide (PubChem CID 86969612) has the molecular formula C21H24F2N4O3 and a molecular weight of 418.44 g/mol. Its IUPAC name is 4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide
PubChem CID86969612
Molecular FormulaC21H24F2N4O3
Molecular Weight418.44 g/mol
Exact Mass418.18
IUPAC Name4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide
SMILESCC(C(=O)Nc1ccccc1OC(F)F)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C21H24F2N4O3/c1-14(20(29)25-17-4-2-3-5-18(17)30-21(22)23)26-10-12-27(13-11-26)16-8-6-15(7-9-16)19(24)28/h2-9,14,21H,10-13H2,1H3,(H2,24,28)(H,25,29)
InChIKeyXQMYUCGFKMVHJG-UHFFFAOYSA-N
XLogP2.54
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide
CID 86969750
N-[2-(difluoromethoxy)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51243860
1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443697
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86909784
4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969614
N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
CID 46596245
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 55430826
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
4-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]oxybenzamide
CID 8946649
4-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969657
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 120772820
N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880153

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide (CID 86969612) is 4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide is CC(C(=O)Nc1ccccc1OC(F)F)N1CCN(c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide?
The InChIKey is XQMYUCGFKMVHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O3/c1-14(20(29)25-17-4-2-3-5-18(17)30-21(22)23)26-10-12-27(13-11-26)16-8-6-15(7-9-16)19(24)28/h2-9,14,21H,10-13H2,1H3,(H2,24,28)(H,25,29).
What are the key properties of 4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide?
4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide has a molecular weight of 418.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide is sourced from PubChem (CID 86969612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).