N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide

C21H15F2N3O2 — CID 42694653

IUPACN-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1c(-c2ccc(F)c(F)c2)nc2ccccn12
InChIInChI=1S/C21H15F2N3O2/c22-16-10-9-14(12-17(16)23)20-21(26-11-5-4-8-18(26)24-20)25-19(27)13-28-15-6-2-1-3-7-15/h1-12H,13H2,(H,25,27)
InChIKeyPYOLOXDXZYDYEC-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.30
Rot. Bonds5

About N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide

N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide (PubChem CID 42694653) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide
PubChem CID42694653
Molecular FormulaC21H15F2N3O2
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC NameN-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1c(-c2ccc(F)c(F)c2)nc2ccccn12
InChIInChI=1S/C21H15F2N3O2/c22-16-10-9-14(12-17(16)23)20-21(26-11-5-4-8-18(26)24-20)25-19(27)13-28-15-6-2-1-3-7-15/h1-12H,13H2,(H,25,27)
InChIKeyPYOLOXDXZYDYEC-UHFFFAOYSA-N
XLogP4.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide (CID 42694653) is N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1c(-c2ccc(F)c(F)c2)nc2ccccn12.
What is the InChIKey of N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide?
The InChIKey is PYOLOXDXZYDYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2/c22-16-10-9-14(12-17(16)23)20-21(26-11-5-4-8-18(26)24-20)25-19(27)13-28-15-6-2-1-3-7-15/h1-12H,13H2,(H,25,27).
What are the key properties of N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide?
N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide has a molecular weight of 379.37 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 42694653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).