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

C17H14ClF3N4O — CID 53021802

IUPAC2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCCn1c(C(F)(F)F)nc2cccnc21
InChIInChI=1S/C17H14ClF3N4O/c18-12-5-2-1-4-11(12)10-14(26)22-8-9-25-15-13(6-3-7-23-15)24-16(25)17(19,20)21/h1-7H,8-10H2,(H,22,26)
InChIKeyDQTNLKRIJZRVOM-UHFFFAOYSA-N
MW382.77 g/mol
LogP3.46
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide (PubChem CID 53021802) has the molecular formula C17H14ClF3N4O and a molecular weight of 382.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
PubChem CID53021802
Molecular FormulaC17H14ClF3N4O
Molecular Weight382.77 g/mol
Exact Mass382.08
IUPAC Name2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCCn1c(C(F)(F)F)nc2cccnc21
InChIInChI=1S/C17H14ClF3N4O/c18-12-5-2-1-4-11(12)10-14(26)22-8-9-25-15-13(6-3-7-23-15)24-16(25)17(19,20)21/h1-7H,8-10H2,(H,22,26)
InChIKeyDQTNLKRIJZRVOM-UHFFFAOYSA-N
XLogP3.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
CID 156599885
2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 53004120
1-(2-methylphenyl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53019866
3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 53021801
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53004172
2-(4-chlorophenyl)-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53019826
2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide
CID 53063129
5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide
CID 46286443
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53004182
1-(2,3-dimethylphenyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
CID 46331558
N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 108932586
1-(2-chlorophenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021890

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide (CID 53021802) is 2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide is O=C(Cc1ccccc1Cl)NCCn1c(C(F)(F)F)nc2cccnc21.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide?
The InChIKey is DQTNLKRIJZRVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O/c18-12-5-2-1-4-11(12)10-14(26)22-8-9-25-15-13(6-3-7-23-15)24-16(25)17(19,20)21/h1-7H,8-10H2,(H,22,26).
What are the key properties of 2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide?
2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide has a molecular weight of 382.77 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide is sourced from PubChem (CID 53021802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).