2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide

C22H26ClN3O3 — CID 170861952

IUPAC2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1cccc(C(=O)CN2CCN(C)CC2)c1
InChIInChI=1S/C22H26ClN3O3/c1-16-12-18(23)6-7-21(16)29-15-22(28)24-19-5-3-4-17(13-19)20(27)14-26-10-8-25(2)9-11-26/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,28)
InChIKeyGWJBDZLFOMLCRE-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.10
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide (PubChem CID 170861952) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
PubChem CID170861952
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1cccc(C(=O)CN2CCN(C)CC2)c1
InChIInChI=1S/C22H26ClN3O3/c1-16-12-18(23)6-7-21(16)29-15-22(28)24-19-5-3-4-17(13-19)20(27)14-26-10-8-25(2)9-11-26/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,28)
InChIKeyGWJBDZLFOMLCRE-UHFFFAOYSA-N
XLogP3.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 170861936
2-(2,4-dichlorophenoxy)-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 170861562
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162275
2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 1226684
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779556
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221916
N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 28638799
2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide
CID 31921139
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 3483118
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230877
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide
CID 110314944

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide (CID 170861952) is 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(C(=O)CN2CCN(C)CC2)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide?
The InChIKey is GWJBDZLFOMLCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-16-12-18(23)6-7-21(16)29-15-22(28)24-19-5-3-4-17(13-19)20(27)14-26-10-8-25(2)9-11-26/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,28).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide has a molecular weight of 415.92 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide is sourced from PubChem (CID 170861952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).