N-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide

C16H13BrFN3O — CID 71051765

IUPACN-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(CF)c2)cn2c(Br)cnc12
InChIInChI=1S/C16H13BrFN3O/c1-10(22)20-14-6-13(9-21-15(17)8-19-16(14)21)12-4-2-3-11(5-12)7-18/h2-6,8-9H,7H2,1H3,(H,20,22)
InChIKeyLPHDUVHBDWEDOA-UHFFFAOYSA-N
MW362.20 g/mol
LogP4.19
Rot. Bonds3

About N-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide

N-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide (PubChem CID 71051765) has the molecular formula C16H13BrFN3O and a molecular weight of 362.20 g/mol. Its IUPAC name is N-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide.

Molecular Properties

Compound NameN-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
PubChem CID71051765
Molecular FormulaC16H13BrFN3O
Molecular Weight362.20 g/mol
Exact Mass361.02
IUPAC NameN-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(CF)c2)cn2c(Br)cnc12
InChIInChI=1S/C16H13BrFN3O/c1-10(22)20-14-6-13(9-21-15(17)8-19-16(14)21)12-4-2-3-11(5-12)7-18/h2-6,8-9H,7H2,1H3,(H,20,22)
InChIKeyLPHDUVHBDWEDOA-UHFFFAOYSA-N
XLogP4.19
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide?
The IUPAC name of N-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide (CID 71051765) is N-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide.
What is the SMILES notation for N-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide?
The canonical SMILES for N-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide is CC(=O)Nc1cc(-c2cccc(CF)c2)cn2c(Br)cnc12.
What is the InChIKey of N-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide?
The InChIKey is LPHDUVHBDWEDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3O/c1-10(22)20-14-6-13(9-21-15(17)8-19-16(14)21)12-4-2-3-11(5-12)7-18/h2-6,8-9H,7H2,1H3,(H,20,22).
What are the key properties of N-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide?
N-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide has a molecular weight of 362.20 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide is sourced from PubChem (CID 71051765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).