N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide

C22H26ClN3O3 — CID 17177108

IUPACN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2cccc(C)c2C)CC1
InChIInChI=1S/C22H26ClN3O3/c1-15-6-4-9-20(16(15)2)29-14-21(28)24-19-8-5-7-18(23)22(19)26-12-10-25(11-13-26)17(3)27/h4-9H,10-14H2,1-3H3,(H,24,28)
InChIKeyFSUKMJGORHIRBY-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.64
Rot. Bonds5

About N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide

N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 17177108) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide
PubChem CID17177108
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2cccc(C)c2C)CC1
InChIInChI=1S/C22H26ClN3O3/c1-15-6-4-9-20(16(15)2)29-14-21(28)24-19-8-5-7-18(23)22(19)26-12-10-25(11-13-26)17(3)27/h4-9H,10-14H2,1-3H3,(H,24,28)
InChIKeyFSUKMJGORHIRBY-UHFFFAOYSA-N
XLogP3.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 17177111
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
CID 17018500
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2963756
N-(2-chloro-3-pyridinyl)-2-(2,3-dimethylphenoxy)acetamide
CID 17099005
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982074
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 17092278
N-(2-chloro-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 18075657
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 1266149
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 17111736
N-(4-amino-2-chlorophenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867352
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide
CID 17177126
2-(4-chloro-3-methylphenoxy)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
CID 3894786

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide (CID 17177108) is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide is CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2cccc(C)c2C)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is FSUKMJGORHIRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-15-6-4-9-20(16(15)2)29-14-21(28)24-19-8-5-7-18(23)22(19)26-12-10-25(11-13-26)17(3)27/h4-9H,10-14H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide?
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 415.92 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 17177108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).