5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide

C21H22ClFN4O4 — CID 24598922

IUPAC5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H22ClFN4O4/c22-14-1-6-18(17(11-14)21(24)30)31-13-20(29)27-9-7-26(8-10-27)12-19(28)25-16-4-2-15(23)3-5-16/h1-6,11H,7-10,12-13H2,(H2,24,30)(H,25,28)
InChIKeyYQIGOYGMKRIWEZ-UHFFFAOYSA-N
MW448.88 g/mol
LogP1.74
Rot. Bonds7

About 5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide

5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide (PubChem CID 24598922) has the molecular formula C21H22ClFN4O4 and a molecular weight of 448.88 g/mol. Its IUPAC name is 5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide
PubChem CID24598922
Molecular FormulaC21H22ClFN4O4
Molecular Weight448.88 g/mol
Exact Mass448.13
IUPAC Name5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H22ClFN4O4/c22-14-1-6-18(17(11-14)21(24)30)31-13-20(29)27-9-7-26(8-10-27)12-19(28)25-16-4-2-15(23)3-5-16/h1-6,11H,7-10,12-13H2,(H2,24,30)(H,25,28)
InChIKeyYQIGOYGMKRIWEZ-UHFFFAOYSA-N
XLogP1.74
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.88
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
2-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide
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2-[4-[2-(4-acetylphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9022019
N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide
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2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 27849985
2-[4-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
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N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 55733574
5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 7893868
2-(2,4-dichlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2304004
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of 5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide (CID 24598922) is 5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for 5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide is NC(=O)c1cc(Cl)ccc1OCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is YQIGOYGMKRIWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4O4/c22-14-1-6-18(17(11-14)21(24)30)31-13-20(29)27-9-7-26(8-10-27)12-19(28)25-16-4-2-15(23)3-5-16/h1-6,11H,7-10,12-13H2,(H2,24,30)(H,25,28).
What are the key properties of 5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide?
5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 448.88 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 24598922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).