N-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide

C15H19Cl2N3O2 — CID 15087720

IUPACN-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
SMILESCC(=O)c1cc(Cl)c(NC(=O)CN2CCNC(C)C2)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O2/c1-9-7-20(4-3-18-9)8-14(22)19-15-12(16)5-11(10(2)21)6-13(15)17/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,19,22)
InChIKeyNQXSKRMIPWBKGN-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.43
Rot. Bonds4

About N-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide

N-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide (PubChem CID 15087720) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is N-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
PubChem CID15087720
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC NameN-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
SMILESCC(=O)c1cc(Cl)c(NC(=O)CN2CCNC(C)C2)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O2/c1-9-7-20(4-3-18-9)8-14(22)19-15-12(16)5-11(10(2)21)6-13(15)17/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,19,22)
InChIKeyNQXSKRMIPWBKGN-UHFFFAOYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44420247
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CID 44420248
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide (CID 15087720) is N-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide is CC(=O)c1cc(Cl)c(NC(=O)CN2CCNC(C)C2)c(Cl)c1.
What is the InChIKey of N-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The InChIKey is NQXSKRMIPWBKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-9-7-20(4-3-18-9)8-14(22)19-15-12(16)5-11(10(2)21)6-13(15)17/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,19,22).
What are the key properties of N-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
N-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide has a molecular weight of 344.24 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2,6-dichlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 15087720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).