N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide

C19H19Cl4N3O — CID 22194756

IUPACN-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H19Cl4N3O/c20-14-5-4-13(10-16(14)22)11-25-6-8-26(9-7-25)12-18(27)24-17-3-1-2-15(21)19(17)23/h1-5,10H,6-9,11-12H2,(H,24,27)
InChIKeyIMRHWNDLHRRPLK-UHFFFAOYSA-N
MW447.19 g/mol
LogP5.06
Rot. Bonds5

About N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide

N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 22194756) has the molecular formula C19H19Cl4N3O and a molecular weight of 447.19 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID22194756
Molecular FormulaC19H19Cl4N3O
Molecular Weight447.19 g/mol
Exact Mass445.03
IUPAC NameN-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H19Cl4N3O/c20-14-5-4-13(10-16(14)22)11-25-6-8-26(9-7-25)12-18(27)24-17-3-1-2-15(21)19(17)23/h1-5,10H,6-9,11-12H2,(H,24,27)
InChIKeyIMRHWNDLHRRPLK-UHFFFAOYSA-N
XLogP5.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.19
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 22194778
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 17255125
N-(2,3-dichlorophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993994
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194773
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 17279131
N-(2,3-dichlorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 42918042
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 39782572
N-(2,3-dichlorophenyl)-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27186727
N-(2,3-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2654826
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 22194789
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30664497
4-[[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzamide
CID 34708303

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide (CID 22194756) is N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is IMRHWNDLHRRPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl4N3O/c20-14-5-4-13(10-16(14)22)11-25-6-8-26(9-7-25)12-18(27)24-17-3-1-2-15(21)19(17)23/h1-5,10H,6-9,11-12H2,(H,24,27).
What are the key properties of N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 447.19 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 22194756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).