2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide

C20H19ClFN5O3 — CID 71599626

IUPAC2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(Cl)c(OCC(N)=O)c2)n1
InChIInChI=1S/C20H19ClFN5O3/c1-29-20-26-18(13-4-7-15(21)16(10-13)30-11-17(23)28)25-19(27-20)24-9-8-12-2-5-14(22)6-3-12/h2-7,10H,8-9,11H2,1H3,(H2,23,28)(H,24,25,26,27)
InChIKeyJLFAXLTUCCQISG-UHFFFAOYSA-N
MW431.86 g/mol
LogP2.86
Rot. Bonds9

About 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide

2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide (PubChem CID 71599626) has the molecular formula C20H19ClFN5O3 and a molecular weight of 431.86 g/mol. Its IUPAC name is 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide
PubChem CID71599626
Molecular FormulaC20H19ClFN5O3
Molecular Weight431.86 g/mol
Exact Mass431.12
IUPAC Name2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(Cl)c(OCC(N)=O)c2)n1
InChIInChI=1S/C20H19ClFN5O3/c1-29-20-26-18(13-4-7-15(21)16(10-13)30-11-17(23)28)25-19(27-20)24-9-8-12-2-5-14(22)6-3-12/h2-7,10H,8-9,11H2,1H3,(H2,23,28)(H,24,25,26,27)
InChIKeyJLFAXLTUCCQISG-UHFFFAOYSA-N
XLogP2.86
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.86
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide (CID 71599626) is 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide is COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(Cl)c(OCC(N)=O)c2)n1.
What is the InChIKey of 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide?
The InChIKey is JLFAXLTUCCQISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5O3/c1-29-20-26-18(13-4-7-15(21)16(10-13)30-11-17(23)28)25-19(27-20)24-9-8-12-2-5-14(22)6-3-12/h2-7,10H,8-9,11H2,1H3,(H2,23,28)(H,24,25,26,27).
What are the key properties of 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide?
2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide has a molecular weight of 431.86 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 71599626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).