2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C113H166Cl3F8N21O7 — CID 159536435

IUPAC2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)C(N)c2ccc(F)c(Cl)c2)CC1.CC(C)N1CCN(C(=O)C(N)c2ccc(F)cc2F)CC1.CC(C)N1CCN(C(=O)C(N)c2ccccc2F)CC1.CC(C)N1CCN(C(=O)C(c2ccc(F)c(Cl)c2)N(C)C)CC1.CC(C)N1CCN(C(=O)C(c2ccc(F)cc2F)N(C)C)CC1.CC(C)N1CCN(C(=O)C(c2cccc(Cl)c2)N(C)C)CC1.CC(C)N1CCN(C(=O)C(c2ccccc2F)N(C)C)CC1
InChIInChI=1S/C17H25ClFN3O.C17H26ClN3O.C17H25F2N3O.C17H26FN3O.C15H21ClFN3O.C15H21F2N3O.C15H22FN3O/c1-12(2)21-7-9-22(10-8-21)17(23)16(20(3)4)13-5-6-15(19)14(18)11-13;1-13(2)20-8-10-21(11-9-20)17(22)16(19(3)4)14-6-5-7-15(18)12-14;1-12(2)21-7-9-22(10-8-21)17(23)16(20(3)4)14-6-5-13(18)11-15(14)19;1-13(2)20-9-11-21(12-10-20)17(22)16(19(3)4)14-7-5-6-8-15(14)18;1-10(2)19-5-7-20(8-6-19)15(21)14(18)11-3-4-13(17)12(16)9-11;1-10(2)19-5-7-20(8-6-19)15(21)14(18)12-4-3-11(16)9-13(12)17;1-11(2)18-7-9-19(10-8-18)15(20)14(17)12-5-3-4-6-13(12)16/h5-6,11-12,16H,7-10H2,1-4H3;5-7,12-13,16H,8-11H2,1-4H3;5-6,11-12,16H,7-10H2,1-4H3;5-8,13,16H,9-12H2,1-4H3;2*3-4,9-10,14H,5-8,18H2,1-2H3;3-6,11,14H,7-10,17H2,1-2H3
InChIKeyMDQNNLFYYSWDFR-UHFFFAOYSA-N
MW2189.05 g/mol
LogP14.16
Rot. Bonds25

About 2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 159536435) has the molecular formula C113H166Cl3F8N21O7 and a molecular weight of 2189.05 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID159536435
Molecular FormulaC113H166Cl3F8N21O7
Molecular Weight2189.05 g/mol
Exact Mass2186.22
IUPAC Name2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)C(N)c2ccc(F)c(Cl)c2)CC1.CC(C)N1CCN(C(=O)C(N)c2ccc(F)cc2F)CC1.CC(C)N1CCN(C(=O)C(N)c2ccccc2F)CC1.CC(C)N1CCN(C(=O)C(c2ccc(F)c(Cl)c2)N(C)C)CC1.CC(C)N1CCN(C(=O)C(c2ccc(F)cc2F)N(C)C)CC1.CC(C)N1CCN(C(=O)C(c2cccc(Cl)c2)N(C)C)CC1.CC(C)N1CCN(C(=O)C(c2ccccc2F)N(C)C)CC1
InChIInChI=1S/C17H25ClFN3O.C17H26ClN3O.C17H25F2N3O.C17H26FN3O.C15H21ClFN3O.C15H21F2N3O.C15H22FN3O/c1-12(2)21-7-9-22(10-8-21)17(23)16(20(3)4)13-5-6-15(19)14(18)11-13;1-13(2)20-8-10-21(11-9-20)17(22)16(19(3)4)14-6-5-7-15(18)12-14;1-12(2)21-7-9-22(10-8-21)17(23)16(20(3)4)14-6-5-13(18)11-15(14)19;1-13(2)20-9-11-21(12-10-20)17(22)16(19(3)4)14-7-5-6-8-15(14)18;1-10(2)19-5-7-20(8-6-19)15(21)14(18)11-3-4-13(17)12(16)9-11;1-10(2)19-5-7-20(8-6-19)15(21)14(18)12-4-3-11(16)9-13(12)17;1-11(2)18-7-9-19(10-8-18)15(20)14(17)12-5-3-4-6-13(12)16/h5-6,11-12,16H,7-10H2,1-4H3;5-7,12-13,16H,8-11H2,1-4H3;5-6,11-12,16H,7-10H2,1-4H3;5-8,13,16H,9-12H2,1-4H3;2*3-4,9-10,14H,5-8,18H2,1-2H3;3-6,11,14H,7-10,17H2,1-2H3
InChIKeyMDQNNLFYYSWDFR-UHFFFAOYSA-N
XLogP14.16
TPSA255.87 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002189.05
LogP ≤ 514.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 135253062
2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 119877493
2-amino-2-(3-chlorophenyl)-1-(4-sulfanylpiperazin-1-yl)ethanone
CID 155419045
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 146388962
1-(4,4-difluoropiperidin-1-yl)-2-(dimethylamino)-2-(3-fluorophenyl)ethanone
CID 72898908
(2S)-1-(4-acetyl-1,4-diazepan-1-yl)-2-(dimethylamino)-2-(3-fluorophenyl)ethanone
CID 97193247
ethyl 4-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 97189636
2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 75518092
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone
CID 97199367
1-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperidine-4-carbonitrile
CID 97205777
1-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 119353706
3-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119953698

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 159536435) is 2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)C(N)c2ccc(F)c(Cl)c2)CC1.CC(C)N1CCN(C(=O)C(N)c2ccc(F)cc2F)CC1.CC(C)N1CCN(C(=O)C(N)c2ccccc2F)CC1.CC(C)N1CCN(C(=O)C(c2ccc(F)c(Cl)c2)N(C)C)CC1.CC(C)N1CCN(C(=O)C(c2ccc(F)cc2F)N(C)C)CC1.CC(C)N1CCN(C(=O)C(c2cccc(Cl)c2)N(C)C)CC1.CC(C)N1CCN(C(=O)C(c2ccccc2F)N(C)C)CC1.
What is the InChIKey of 2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is MDQNNLFYYSWDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN3O.C17H26ClN3O.C17H25F2N3O.C17H26FN3O.C15H21ClFN3O.C15H21F2N3O.C15H22FN3O/c1-12(2)21-7-9-22(10-8-21)17(23)16(20(3)4)13-5-6-15(19)14(18)11-13;1-13(2)20-8-10-21(11-9-20)17(22)16(19(3)4)14-6-5-7-15(18)12-14;1-12(2)21-7-9-22(10-8-21)17(23)16(20(3)4)14-6-5-13(18)11-15(14)19;1-13(2)20-9-11-21(12-10-20)17(22)16(19(3)4)14-7-5-6-8-15(14)18;1-10(2)19-5-7-20(8-6-19)15(21)14(18)11-3-4-13(17)12(16)9-11;1-10(2)19-5-7-20(8-6-19)15(21)14(18)12-4-3-11(16)9-13(12)17;1-11(2)18-7-9-19(10-8-18)15(20)14(17)12-5-3-4-6-13(12)16/h5-6,11-12,16H,7-10H2,1-4H3;5-7,12-13,16H,8-11H2,1-4H3;5-6,11-12,16H,7-10H2,1-4H3;5-8,13,16H,9-12H2,1-4H3;2*3-4,9-10,14H,5-8,18H2,1-2H3;3-6,11,14H,7-10,17H2,1-2H3.
What are the key properties of 2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 2189.05 g/mol, XLogP of 14.16, 25 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2,4-difluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-amino-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(3-chlorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(2,4-difluorophenyl)-2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 159536435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).