N-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide

C22H23ClN6O2 — CID 68562992

IUPACN-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide
SMILESCC(=O)Nc1c(C)ccc(Nc2ncnc(N3CC(Oc4ccc(Cl)cc4)C3)n2)c1C
InChIInChI=1S/C22H23ClN6O2/c1-13-4-9-19(14(2)20(13)26-15(3)30)27-21-24-12-25-22(28-21)29-10-18(11-29)31-17-7-5-16(23)6-8-17/h4-9,12,18H,10-11H2,1-3H3,(H,26,30)(H,24,25,27,28)
InChIKeyZOFPXIMDRVALTR-UHFFFAOYSA-N
MW438.92 g/mol
LogP4.11
Rot. Bonds6

About N-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide

N-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide (PubChem CID 68562992) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide
PubChem CID68562992
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC NameN-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide
SMILESCC(=O)Nc1c(C)ccc(Nc2ncnc(N3CC(Oc4ccc(Cl)cc4)C3)n2)c1C
InChIInChI=1S/C22H23ClN6O2/c1-13-4-9-19(14(2)20(13)26-15(3)30)27-21-24-12-25-22(28-21)29-10-18(11-29)31-17-7-5-16(23)6-8-17/h4-9,12,18H,10-11H2,1-3H3,(H,26,30)(H,24,25,27,28)
InChIKeyZOFPXIMDRVALTR-UHFFFAOYSA-N
XLogP4.11
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide?
The IUPAC name of N-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide (CID 68562992) is N-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide.
What is the SMILES notation for N-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide?
The canonical SMILES for N-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide is CC(=O)Nc1c(C)ccc(Nc2ncnc(N3CC(Oc4ccc(Cl)cc4)C3)n2)c1C.
What is the InChIKey of N-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide?
The InChIKey is ZOFPXIMDRVALTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c1-13-4-9-19(14(2)20(13)26-15(3)30)27-21-24-12-25-22(28-21)29-10-18(11-29)31-17-7-5-16(23)6-8-17/h4-9,12,18H,10-11H2,1-3H3,(H,26,30)(H,24,25,27,28).
What are the key properties of N-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide?
N-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide has a molecular weight of 438.92 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[3-(4-chlorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenyl]acetamide is sourced from PubChem (CID 68562992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).