2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide

C17H14ClF3N4O2 — CID 53004128

IUPAC2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCn1c(C(F)(F)F)nc2cccnc21
InChIInChI=1S/C17H14ClF3N4O2/c18-11-3-5-12(6-4-11)27-10-14(26)22-8-9-25-15-13(2-1-7-23-15)24-16(25)17(19,20)21/h1-7H,8-10H2,(H,22,26)
InChIKeyZOYXBQKRDRXQCA-UHFFFAOYSA-N
MW398.77 g/mol
LogP3.30
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide (PubChem CID 53004128) has the molecular formula C17H14ClF3N4O2 and a molecular weight of 398.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
PubChem CID53004128
Molecular FormulaC17H14ClF3N4O2
Molecular Weight398.77 g/mol
Exact Mass398.08
IUPAC Name2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCn1c(C(F)(F)F)nc2cccnc21
InChIInChI=1S/C17H14ClF3N4O2/c18-11-3-5-12(6-4-11)27-10-14(26)22-8-9-25-15-13(2-1-7-23-15)24-16(25)17(19,20)21/h1-7H,8-10H2,(H,22,26)
InChIKeyZOYXBQKRDRXQCA-UHFFFAOYSA-N
XLogP3.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide (CID 53004128) is 2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCn1c(C(F)(F)F)nc2cccnc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide?
The InChIKey is ZOYXBQKRDRXQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O2/c18-11-3-5-12(6-4-11)27-10-14(26)22-8-9-25-15-13(2-1-7-23-15)24-16(25)17(19,20)21/h1-7H,8-10H2,(H,22,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide has a molecular weight of 398.77 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide is sourced from PubChem (CID 53004128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).