N-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide

C24H17ClF3N5O2 — CID 58396371

IUPACN-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide
SMILESCCc1ncnc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C24H17ClF3N5O2/c1-2-20-30-13-31-21(33-20)17-7-4-10-29-23(17)35-16-8-9-18(25)19(12-16)32-22(34)14-5-3-6-15(11-14)24(26,27)28/h3-13H,2H2,1H3,(H,32,34)
InChIKeyGMYVWWWRSWWASX-UHFFFAOYSA-N
MW499.88 g/mol
LogP6.21
Rot. Bonds6

About N-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide

N-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 58396371) has the molecular formula C24H17ClF3N5O2 and a molecular weight of 499.88 g/mol. Its IUPAC name is N-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID58396371
Molecular FormulaC24H17ClF3N5O2
Molecular Weight499.88 g/mol
Exact Mass499.10
IUPAC NameN-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide
SMILESCCc1ncnc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C24H17ClF3N5O2/c1-2-20-30-13-31-21(33-20)17-7-4-10-29-23(17)35-16-8-9-18(25)19(12-16)32-22(34)14-5-3-6-15(11-14)24(26,27)28/h3-13H,2H2,1H3,(H,32,34)
InChIKeyGMYVWWWRSWWASX-UHFFFAOYSA-N
XLogP6.21
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.88
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide (CID 58396371) is N-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide is CCc1ncnc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cccc(C(F)(F)F)c3)c2)n1.
What is the InChIKey of N-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is GMYVWWWRSWWASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N5O2/c1-2-20-30-13-31-21(33-20)17-7-4-10-29-23(17)35-16-8-9-18(25)19(12-16)32-22(34)14-5-3-6-15(11-14)24(26,27)28/h3-13H,2H2,1H3,(H,32,34).
What are the key properties of N-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide?
N-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 499.88 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58396371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).