N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide

C20H22F2N2O3 — CID 2540607

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C20H22F2N2O3/c1-3-24(13-18(25)23-20-16(21)5-4-6-17(20)22)19(26)12-9-14-7-10-15(27-2)11-8-14/h4-8,10-11H,3,9,12-13H2,1-2H3,(H,23,25)
InChIKeyRHOVIJNPZZLKOZ-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.39
Rot. Bonds8

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide (PubChem CID 2540607) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide
PubChem CID2540607
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C20H22F2N2O3/c1-3-24(13-18(25)23-20-16(21)5-4-6-17(20)22)19(26)12-9-14-7-10-15(27-2)11-8-14/h4-8,10-11H,3,9,12-13H2,1-2H3,(H,23,25)
InChIKeyRHOVIJNPZZLKOZ-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide (CID 2540607) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCc1ccc(OC)cc1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide?
The InChIKey is RHOVIJNPZZLKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-3-24(13-18(25)23-20-16(21)5-4-6-17(20)22)19(26)12-9-14-7-10-15(27-2)11-8-14/h4-8,10-11H,3,9,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide has a molecular weight of 376.40 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 2540607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).