2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one

C19H19Cl4N3O — CID 69184296

IUPAC2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one
SMILESNC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H19Cl4N3O/c20-13-2-1-12(16(22)10-13)9-18(24)19(27)26-7-5-25(6-8-26)14-3-4-15(21)17(23)11-14/h1-4,10-11,18H,5-9,24H2
InChIKeyBXIGHGWLLXLTDH-UHFFFAOYSA-N
MW447.19 g/mol
LogP4.52
Rot. Bonds4

About 2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one

2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 69184296) has the molecular formula C19H19Cl4N3O and a molecular weight of 447.19 g/mol. Its IUPAC name is 2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one
PubChem CID69184296
Molecular FormulaC19H19Cl4N3O
Molecular Weight447.19 g/mol
Exact Mass445.03
IUPAC Name2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one
SMILESNC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H19Cl4N3O/c20-13-2-1-12(16(22)10-13)9-18(24)19(27)26-7-5-25(6-8-26)14-3-4-15(21)17(23)11-14/h1-4,10-11,18H,5-9,24H2
InChIKeyBXIGHGWLLXLTDH-UHFFFAOYSA-N
XLogP4.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.19
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 3782223
2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 164907228
2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
CID 69169129
ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate
CID 170885740
N-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide
CID 24739181
1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 69237539
1-[4-(3-amino-4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 82533970
N-[2-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1,3-dihydroisoindol-5-yl]methanesulfinamide
CID 164907179
1-[4-[3-chloro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanone
CID 54014888
2-amino-3-[2-chloro-4-(4-chlorophenyl)phenyl]-1-(1,3-dihydroisoindol-2-yl)propan-1-one
CID 69182106
(2R)-2-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 104906806
(2R)-2-amino-3-(2,4-dichlorophenyl)-1-[5-(1H-pyrazol-4-yl)-1,3-dihydroisoindol-2-yl]propan-1-one
CID 172852940

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one (CID 69184296) is 2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one is NC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is BXIGHGWLLXLTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl4N3O/c20-13-2-1-12(16(22)10-13)9-18(24)19(27)26-7-5-25(6-8-26)14-3-4-15(21)17(23)11-14/h1-4,10-11,18H,5-9,24H2.
What are the key properties of 2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one?
2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 447.19 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 69184296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).