N-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide

C21H15ClFN3O — CID 42694420

IUPACN-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide
SMILESCc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)c3cccc(F)c3)n2c1
InChIInChI=1S/C21H15ClFN3O/c1-13-8-9-18-24-19(14-4-2-6-16(22)10-14)20(26(18)12-13)25-21(27)15-5-3-7-17(23)11-15/h2-12H,1H3,(H,25,27)
InChIKeyYPYOLZJFNXBHIX-UHFFFAOYSA-N
MW379.82 g/mol
LogP5.35
Rot. Bonds3

About N-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide

N-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide (PubChem CID 42694420) has the molecular formula C21H15ClFN3O and a molecular weight of 379.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide
PubChem CID42694420
Molecular FormulaC21H15ClFN3O
Molecular Weight379.82 g/mol
Exact Mass379.09
IUPAC NameN-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide
SMILESCc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)c3cccc(F)c3)n2c1
InChIInChI=1S/C21H15ClFN3O/c1-13-8-9-18-24-19(14-4-2-6-16(22)10-14)20(26(18)12-13)25-21(27)15-5-3-7-17(23)11-15/h2-12H,1H3,(H,25,27)
InChIKeyYPYOLZJFNXBHIX-UHFFFAOYSA-N
XLogP5.35
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.82
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide (CID 42694420) is N-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide is Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)c3cccc(F)c3)n2c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide?
The InChIKey is YPYOLZJFNXBHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O/c1-13-8-9-18-24-19(14-4-2-6-16(22)10-14)20(26(18)12-13)25-21(27)15-5-3-7-17(23)11-15/h2-12H,1H3,(H,25,27).
What are the key properties of N-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide?
N-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide has a molecular weight of 379.82 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 42694420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).