5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide

C26H26ClN3O4 — CID 24578731

IUPAC5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide
SMILESCOc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C26H26ClN3O4/c1-33-22-10-8-21(9-11-22)29-13-15-30(16-14-29)25(31)18-34-24-12-7-19(27)17-23(24)26(32)28-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3,(H,28,32)
InChIKeyDBLHIUPSHLVDHK-UHFFFAOYSA-N
MW479.96 g/mol
LogP4.33
Rot. Bonds7

About 5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide

5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 24578731) has the molecular formula C26H26ClN3O4 and a molecular weight of 479.96 g/mol. Its IUPAC name is 5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide
PubChem CID24578731
Molecular FormulaC26H26ClN3O4
Molecular Weight479.96 g/mol
Exact Mass479.16
IUPAC Name5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide
SMILESCOc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C26H26ClN3O4/c1-33-22-10-8-21(9-11-22)29-13-15-30(16-14-29)25(31)18-34-24-12-7-19(27)17-23(24)26(32)28-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3,(H,28,32)
InChIKeyDBLHIUPSHLVDHK-UHFFFAOYSA-N
XLogP4.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.96
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2677305
1-[4-(4-amino-3-methylphenyl)piperazin-1-yl]-2-(2-benzoyl-4-chlorophenoxy)ethanone
CID 142047775
2-bromo-N-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17092733
2-(4-chloro-2-methylphenoxy)-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 17335450
5-chloro-2-methoxy-N-[[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 17334294
2-(4-chlorophenoxy)-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 110363806
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2,5-dichlorobenzamide
CID 3619505
3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide
CID 22264362
5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide
CID 24619082
5-chloro-2-[2-(diethylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893374
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
2-(2,4-dichlorophenoxy)-1-[4-[7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 16646853

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide (CID 24578731) is 5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide is COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is DBLHIUPSHLVDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O4/c1-33-22-10-8-21(9-11-22)29-13-15-30(16-14-29)25(31)18-34-24-12-7-19(27)17-23(24)26(32)28-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3,(H,28,32).
What are the key properties of 5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide?
5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 479.96 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 24578731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).