N-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C17H15ClFN3O2 — CID 155532234

IUPACN-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccc(F)cn2c1C(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFN3O2/c1-11-16(22-10-13(19)4-7-15(22)21-11)17(23)20-8-9-24-14-5-2-12(18)3-6-14/h2-7,10H,8-9H2,1H3,(H,20,23)
InChIKeyXTGNMTJYTZUTJM-UHFFFAOYSA-N
MW347.78 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155532234) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155532234
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccc(F)cn2c1C(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFN3O2/c1-11-16(22-10-13(19)4-7-15(22)21-11)17(23)20-8-9-24-14-5-2-12(18)3-6-14/h2-7,10H,8-9H2,1H3,(H,20,23)
InChIKeyXTGNMTJYTZUTJM-UHFFFAOYSA-N
XLogP3.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 155532234) is N-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccc(F)cn2c1C(=O)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XTGNMTJYTZUTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-11-16(22-10-13(19)4-7-15(22)21-11)17(23)20-8-9-24-14-5-2-12(18)3-6-14/h2-7,10H,8-9H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 347.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155532234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).