N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C26H24F2N4O3 — CID 112830411

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccccc1OCc1cn2cc(C)ccc2n1
InChIInChI=1S/C26H24F2N4O3/c1-3-31(15-24(33)30-25-20(27)8-6-9-21(25)28)26(34)19-7-4-5-10-22(19)35-16-18-14-32-13-17(2)11-12-23(32)29-18/h4-14H,3,15-16H2,1-2H3,(H,30,33)
InChIKeyILZJFWCBZYJPSZ-UHFFFAOYSA-N
MW478.50 g/mol
LogP4.60
Rot. Bonds8

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 112830411) has the molecular formula C26H24F2N4O3 and a molecular weight of 478.50 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
PubChem CID112830411
Molecular FormulaC26H24F2N4O3
Molecular Weight478.50 g/mol
Exact Mass478.18
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccccc1OCc1cn2cc(C)ccc2n1
InChIInChI=1S/C26H24F2N4O3/c1-3-31(15-24(33)30-25-20(27)8-6-9-21(25)28)26(34)19-7-4-5-10-22(19)35-16-18-14-32-13-17(2)11-12-23(32)29-18/h4-14H,3,15-16H2,1-2H3,(H,30,33)
InChIKeyILZJFWCBZYJPSZ-UHFFFAOYSA-N
XLogP4.60
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 112830411) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccccc1OCc1cn2cc(C)ccc2n1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The InChIKey is ILZJFWCBZYJPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O3/c1-3-31(15-24(33)30-25-20(27)8-6-9-21(25)28)26(34)19-7-4-5-10-22(19)35-16-18-14-32-13-17(2)11-12-23(32)29-18/h4-14H,3,15-16H2,1-2H3,(H,30,33).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 478.50 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 112830411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).