2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide

C23H28ClN5O4 — CID 3243802

IUPAC2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28ClN5O4/c1-16(30)25-19-7-8-21(33-2)20(13-19)27-23(32)15-29-11-9-28(10-12-29)14-22(31)26-18-5-3-17(24)4-6-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,30)(H,26,31)(H,27,32)
InChIKeyFCTXHLGPWIWGPS-UHFFFAOYSA-N
MW473.96 g/mol
LogP2.50
Rot. Bonds8

About 2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide

2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 3243802) has the molecular formula C23H28ClN5O4 and a molecular weight of 473.96 g/mol. Its IUPAC name is 2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide
PubChem CID3243802
Molecular FormulaC23H28ClN5O4
Molecular Weight473.96 g/mol
Exact Mass473.18
IUPAC Name2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28ClN5O4/c1-16(30)25-19-7-8-21(33-2)20(13-19)27-23(32)15-29-11-9-28(10-12-29)14-22(31)26-18-5-3-17(24)4-6-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,30)(H,26,31)(H,27,32)
InChIKeyFCTXHLGPWIWGPS-UHFFFAOYSA-N
XLogP2.50
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide (CID 3243802) is 2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide is COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is FCTXHLGPWIWGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O4/c1-16(30)25-19-7-8-21(33-2)20(13-19)27-23(32)15-29-11-9-28(10-12-29)14-22(31)26-18-5-3-17(24)4-6-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,30)(H,26,31)(H,27,32).
What are the key properties of 2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide?
2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 473.96 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 3243802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).