2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide

C26H24F3N3O3 — CID 55543734

IUPAC2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)C(c1ccccc1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C26H24F3N3O3/c27-19-10-12-20(13-11-19)30-24(33)23(18-6-2-1-3-7-18)31-14-16-32(17-15-31)25(34)21-8-4-5-9-22(21)35-26(28)29/h1-13,23,26H,14-17H2,(H,30,33)
InChIKeyCJSAZIRKWAVTIU-UHFFFAOYSA-N
MW483.49 g/mol
LogP4.56
Rot. Bonds7

About 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide

2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide (PubChem CID 55543734) has the molecular formula C26H24F3N3O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
PubChem CID55543734
Molecular FormulaC26H24F3N3O3
Molecular Weight483.49 g/mol
Exact Mass483.18
IUPAC Name2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)C(c1ccccc1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C26H24F3N3O3/c27-19-10-12-20(13-11-19)30-24(33)23(18-6-2-1-3-7-18)31-14-16-32(17-15-31)25(34)21-8-4-5-9-22(21)35-26(28)29/h1-13,23,26H,14-17H2,(H,30,33)
InChIKeyCJSAZIRKWAVTIU-UHFFFAOYSA-N
XLogP4.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 41119333
2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide
CID 55543486
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 32701204
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 3431872
(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide
CID 124514274
(2S)-N-(4-fluorophenyl)-2-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]-2-phenylacetamide
CID 124607905
N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 53384111
(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone
CID 55548039
(2R)-2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 25481810
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 46561400
(2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 95619276
N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide
CID 17459059

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide?
The IUPAC name of 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide (CID 55543734) is 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide is O=C(Nc1ccc(F)cc1)C(c1ccccc1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1.
What is the InChIKey of 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide?
The InChIKey is CJSAZIRKWAVTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O3/c27-19-10-12-20(13-11-19)30-24(33)23(18-6-2-1-3-7-18)31-14-16-32(17-15-31)25(34)21-8-4-5-9-22(21)35-26(28)29/h1-13,23,26H,14-17H2,(H,30,33).
What are the key properties of 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide?
2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide has a molecular weight of 483.49 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 55543734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).