3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide

C13H17F2N3O2 — CID 119266607

IUPAC3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCN
InChIInChI=1S/C13H17F2N3O2/c1-2-18(12(20)6-7-16)8-11(19)17-13-9(14)4-3-5-10(13)15/h3-5H,2,6-8,16H2,1H3,(H,17,19)
InChIKeyNKNLIYMOHLSDQC-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.10
Rot. Bonds6

About 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide

3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide (PubChem CID 119266607) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
PubChem CID119266607
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCN
InChIInChI=1S/C13H17F2N3O2/c1-2-18(12(20)6-7-16)8-11(19)17-13-9(14)4-3-5-10(13)15/h3-5H,2,6-8,16H2,1H3,(H,17,19)
InChIKeyNKNLIYMOHLSDQC-UHFFFAOYSA-N
XLogP1.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide
CID 25161505
4-chloro-N-[4-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-4-oxobutyl]benzamide
CID 24981133
2-(2,4-dichlorophenyl)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylacetamide
CID 38369391
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-ethylpropanamide
CID 24981022
N-[3-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-3-oxopropyl]-4-nitrobenzamide
CID 24982594
2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide
CID 26266273
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
CID 31713224
N-(2,6-difluorophenyl)-2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 26266266
1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119266618
N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-nitrophenyl)sulfanylacetyl]amino]acetamide
CID 38563756
N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide
CID 24980070
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide
CID 119680720

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide?
The IUPAC name of 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide (CID 119266607) is 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide?
The canonical SMILES for 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCN.
What is the InChIKey of 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide?
The InChIKey is NKNLIYMOHLSDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-2-18(12(20)6-7-16)8-11(19)17-13-9(14)4-3-5-10(13)15/h3-5H,2,6-8,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide?
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide has a molecular weight of 285.29 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide is sourced from PubChem (CID 119266607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).