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

C22H21ClF2N6O2 — CID 68517063

IUPACN-[5-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ncnc(N3CCC(Oc4ccc(Cl)c(F)c4)CC3)n2)ccc1F
InChIInChI=1S/C22H21ClF2N6O2/c1-13(32)28-20-10-14(2-5-18(20)24)29-21-26-12-27-22(30-21)31-8-6-15(7-9-31)33-16-3-4-17(23)19(25)11-16/h2-5,10-12,15H,6-9H2,1H3,(H,28,32)(H,26,27,29,30)
InChIKeyAXOCHTOAFJVWPO-UHFFFAOYSA-N
MW474.90 g/mol
LogP4.55
Rot. Bonds6

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

N-[5-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide (PubChem CID 68517063) has the molecular formula C22H21ClF2N6O2 and a molecular weight of 474.90 g/mol. Its IUPAC name is N-[5-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide
PubChem CID68517063
Molecular FormulaC22H21ClF2N6O2
Molecular Weight474.90 g/mol
Exact Mass474.14
IUPAC NameN-[5-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ncnc(N3CCC(Oc4ccc(Cl)c(F)c4)CC3)n2)ccc1F
InChIInChI=1S/C22H21ClF2N6O2/c1-13(32)28-20-10-14(2-5-18(20)24)29-21-26-12-27-22(30-21)31-8-6-15(7-9-31)33-16-3-4-17(23)19(25)11-16/h2-5,10-12,15H,6-9H2,1H3,(H,28,32)(H,26,27,29,30)
InChIKeyAXOCHTOAFJVWPO-UHFFFAOYSA-N
XLogP4.55
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.90
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide (CID 68517063) is N-[5-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(Nc2ncnc(N3CCC(Oc4ccc(Cl)c(F)c4)CC3)n2)ccc1F.
What is the InChIKey of N-[5-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide?
The InChIKey is AXOCHTOAFJVWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF2N6O2/c1-13(32)28-20-10-14(2-5-18(20)24)29-21-26-12-27-22(30-21)31-8-6-15(7-9-31)33-16-3-4-17(23)19(25)11-16/h2-5,10-12,15H,6-9H2,1H3,(H,28,32)(H,26,27,29,30).
What are the key properties of N-[5-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide?
N-[5-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide has a molecular weight of 474.90 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 68517063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).