N-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide

C23H24ClFN6O2 — CID 68520608

IUPACN-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccc(Cl)c(F)c4)CC3)n2)c1C
InChIInChI=1S/C23H24ClFN6O2/c1-14-20(28-15(2)32)4-3-5-21(14)29-22-26-13-27-23(30-22)31-10-8-16(9-11-31)33-17-6-7-18(24)19(25)12-17/h3-7,12-13,16H,8-11H2,1-2H3,(H,28,32)(H,26,27,29,30)
InChIKeyDQSSOEWUODEQCJ-UHFFFAOYSA-N
MW470.94 g/mol
LogP4.72
Rot. Bonds6

About N-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide

N-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide (PubChem CID 68520608) has the molecular formula C23H24ClFN6O2 and a molecular weight of 470.94 g/mol. Its IUPAC name is N-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
PubChem CID68520608
Molecular FormulaC23H24ClFN6O2
Molecular Weight470.94 g/mol
Exact Mass470.16
IUPAC NameN-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccc(Cl)c(F)c4)CC3)n2)c1C
InChIInChI=1S/C23H24ClFN6O2/c1-14-20(28-15(2)32)4-3-5-21(14)29-22-26-13-27-23(30-22)31-10-8-16(9-11-31)33-17-6-7-18(24)19(25)12-17/h3-7,12-13,16H,8-11H2,1-2H3,(H,28,32)(H,26,27,29,30)
InChIKeyDQSSOEWUODEQCJ-UHFFFAOYSA-N
XLogP4.72
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.94
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
The IUPAC name of N-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide (CID 68520608) is N-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccc(Cl)c(F)c4)CC3)n2)c1C.
What is the InChIKey of N-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
The InChIKey is DQSSOEWUODEQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN6O2/c1-14-20(28-15(2)32)4-3-5-21(14)29-22-26-13-27-23(30-22)31-10-8-16(9-11-31)33-17-6-7-18(24)19(25)12-17/h3-7,12-13,16H,8-11H2,1-2H3,(H,28,32)(H,26,27,29,30).
What are the key properties of N-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
N-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide has a molecular weight of 470.94 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 68520608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).