2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide

C23H19Cl2FN4O2 — CID 67350054

IUPAC2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide
SMILESCCc1cccc(OCC(N)=O)c1-c1nc2ccc(F)cn2c1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl2FN4O2/c1-2-13-5-3-8-17(32-12-18(27)31)20(13)22-23(29-21-15(24)6-4-7-16(21)25)30-11-14(26)9-10-19(30)28-22/h3-11,29H,2,12H2,1H3,(H2,27,31)
InChIKeyFMIMFCNQQXDHJA-UHFFFAOYSA-N
MW473.34 g/mol
LogP5.62
Rot. Bonds7

About 2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide

2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide (PubChem CID 67350054) has the molecular formula C23H19Cl2FN4O2 and a molecular weight of 473.34 g/mol. Its IUPAC name is 2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide
PubChem CID67350054
Molecular FormulaC23H19Cl2FN4O2
Molecular Weight473.34 g/mol
Exact Mass472.09
IUPAC Name2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide
SMILESCCc1cccc(OCC(N)=O)c1-c1nc2ccc(F)cn2c1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl2FN4O2/c1-2-13-5-3-8-17(32-12-18(27)31)20(13)22-23(29-21-15(24)6-4-7-16(21)25)30-11-14(26)9-10-19(30)28-22/h3-11,29H,2,12H2,1H3,(H2,27,31)
InChIKeyFMIMFCNQQXDHJA-UHFFFAOYSA-N
XLogP5.62
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.34
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide?
The IUPAC name of 2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide (CID 67350054) is 2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide.
What is the SMILES notation for 2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide?
The canonical SMILES for 2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide is CCc1cccc(OCC(N)=O)c1-c1nc2ccc(F)cn2c1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide?
The InChIKey is FMIMFCNQQXDHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2FN4O2/c1-2-13-5-3-8-17(32-12-18(27)31)20(13)22-23(29-21-15(24)6-4-7-16(21)25)30-11-14(26)9-10-19(30)28-22/h3-11,29H,2,12H2,1H3,(H2,27,31).
What are the key properties of 2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide?
2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide has a molecular weight of 473.34 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2,6-dichloroanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide is sourced from PubChem (CID 67350054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).