N-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide

C9H10Cl2N4O3 — CID 118066357

IUPACN-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
SMILESCC(=O)N(CCOc1nc(Cl)nc(Cl)n1)C(C)=O
InChIInChI=1S/C9H10Cl2N4O3/c1-5(16)15(6(2)17)3-4-18-9-13-7(10)12-8(11)14-9/h3-4H2,1-2H3
InChIKeyABBDOSIKBMKRAM-UHFFFAOYSA-N
MW293.11 g/mol
LogP0.95
Rot. Bonds4

About N-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide

N-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide (PubChem CID 118066357) has the molecular formula C9H10Cl2N4O3 and a molecular weight of 293.11 g/mol. Its IUPAC name is N-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
PubChem CID118066357
Molecular FormulaC9H10Cl2N4O3
Molecular Weight293.11 g/mol
Exact Mass292.01
IUPAC NameN-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
SMILESCC(=O)N(CCOc1nc(Cl)nc(Cl)n1)C(C)=O
InChIInChI=1S/C9H10Cl2N4O3/c1-5(16)15(6(2)17)3-4-18-9-13-7(10)12-8(11)14-9/h3-4H2,1-2H3
InChIKeyABBDOSIKBMKRAM-UHFFFAOYSA-N
XLogP0.95
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The IUPAC name of N-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide (CID 118066357) is N-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide.
What is the SMILES notation for N-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The canonical SMILES for N-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide is CC(=O)N(CCOc1nc(Cl)nc(Cl)n1)C(C)=O.
What is the InChIKey of N-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The InChIKey is ABBDOSIKBMKRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4O3/c1-5(16)15(6(2)17)3-4-18-9-13-7(10)12-8(11)14-9/h3-4H2,1-2H3.
What are the key properties of N-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
N-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide has a molecular weight of 293.11 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl]acetamide is sourced from PubChem (CID 118066357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).