2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen

C26H28ClN3O2 — CID 167599960

IUPAC2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen
SMILESC=C(c1ccccc1)N1CCN(c2ccccc2NC(=O)COc2ccc(Cl)cc2)CC1.[H][H]
InChIInChI=1S/C26H26ClN3O2.H2/c1-20(21-7-3-2-4-8-21)29-15-17-30(18-16-29)25-10-6-5-9-24(25)28-26(31)19-32-23-13-11-22(27)12-14-23;/h2-14H,1,15-19H2,(H,28,31);1H
InChIKeyJOXQIACBUWSARH-UHFFFAOYSA-N
MW449.98 g/mol
LogP5.40
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen

2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen (PubChem CID 167599960) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen
PubChem CID167599960
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC Name2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen
SMILESC=C(c1ccccc1)N1CCN(c2ccccc2NC(=O)COc2ccc(Cl)cc2)CC1.[H][H]
InChIInChI=1S/C26H26ClN3O2.H2/c1-20(21-7-3-2-4-8-21)29-15-17-30(18-16-29)25-10-6-5-9-24(25)28-26(31)19-32-23-13-11-22(27)12-14-23;/h2-14H,1,15-19H2,(H,28,31);1H
InChIKeyJOXQIACBUWSARH-UHFFFAOYSA-N
XLogP5.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.98
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 1078563
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide
CID 17117908
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 17117895
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 43039942
2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 1017654
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
2-(4-benzoylphenoxy)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 2532185
2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 1263245
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide
CID 17092284
2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2714751
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
CID 2949164

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen (CID 167599960) is 2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen is C=C(c1ccccc1)N1CCN(c2ccccc2NC(=O)COc2ccc(Cl)cc2)CC1.[H][H].
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen?
The InChIKey is JOXQIACBUWSARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2.H2/c1-20(21-7-3-2-4-8-21)29-15-17-30(18-16-29)25-10-6-5-9-24(25)28-26(31)19-32-23-13-11-22(27)12-14-23;/h2-14H,1,15-19H2,(H,28,31);1H.
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen?
2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen has a molecular weight of 449.98 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen is sourced from PubChem (CID 167599960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).