2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide

C22H16Cl2FN3O2 — CID 22423124

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCc1ccn2c(NC(=O)COc3ccc(Cl)cc3Cl)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H16Cl2FN3O2/c1-13-8-9-28-19(10-13)26-21(14-2-5-16(25)6-3-14)22(28)27-20(29)12-30-18-7-4-15(23)11-17(18)24/h2-11H,12H2,1H3,(H,27,29)
InChIKeyLAXZTXRSRBFSOR-UHFFFAOYSA-N
MW444.29 g/mol
LogP5.77
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide (PubChem CID 22423124) has the molecular formula C22H16Cl2FN3O2 and a molecular weight of 444.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide
PubChem CID22423124
Molecular FormulaC22H16Cl2FN3O2
Molecular Weight444.29 g/mol
Exact Mass443.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCc1ccn2c(NC(=O)COc3ccc(Cl)cc3Cl)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H16Cl2FN3O2/c1-13-8-9-28-19(10-13)26-21(14-2-5-16(25)6-3-14)22(28)27-20(29)12-30-18-7-4-15(23)11-17(18)24/h2-11H,12H2,1H3,(H,27,29)
InChIKeyLAXZTXRSRBFSOR-UHFFFAOYSA-N
XLogP5.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.29
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide (CID 22423124) is 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide is Cc1ccn2c(NC(=O)COc3ccc(Cl)cc3Cl)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide?
The InChIKey is LAXZTXRSRBFSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2FN3O2/c1-13-8-9-28-19(10-13)26-21(14-2-5-16(25)6-3-14)22(28)27-20(29)12-30-18-7-4-15(23)11-17(18)24/h2-11H,12H2,1H3,(H,27,29).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide has a molecular weight of 444.29 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 22423124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).