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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Related Compounds

N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-2-hydroxyacetamide
CID 56849846
2-(4-chlorophenoxy)-N-{1-methyl-2-[2-(morpholin-4-yl)ethyl]-1H-benzimidazol-5-yl}acetamide
CID 666438
4-N-butyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887507
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide
CID 122445521
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445575
2-(4-chlorophenoxy)-N-[1-methyl-2-(1-pyrrolidinylmethyl)-1H-benzimidazol-5-yl]acetamide
CID 1252141
N-(3-{1-[3-(4-chlorophenoxy)propyl]-1H-benzimidazol-2-yl}propyl)-2,2-dimethylpropanamide
CID 2951358
N-(2-{1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl}ethyl)acetamide
CID 3160779
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-cyanoethyl)acetamide
CID 3543625
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(4-phenoxyphenoxy)acetamide
CID 4098803
2-(4-chlorophenoxy)-N-(2-thiophen-2-yl-3-imidazo[1,2-a]pyridinyl)acetamide
CID 4460664
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 4782515

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).