3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide

C20H23F2N3O2 — CID 119680720

IUPAC3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C20H23F2N3O2/c1-3-25(12-17(26)24-19-15(21)10-7-11-16(19)22)20(27)13(2)18(23)14-8-5-4-6-9-14/h4-11,13,18H,3,12,23H2,1-2H3,(H,24,26)
InChIKeyYOWFYLSWUKBZBS-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.09
Rot. Bonds7

About 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide

3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide (PubChem CID 119680720) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide
PubChem CID119680720
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C20H23F2N3O2/c1-3-25(12-17(26)24-19-15(21)10-7-11-16(19)22)20(27)13(2)18(23)14-8-5-4-6-9-14/h4-11,13,18H,3,12,23H2,1-2H3,(H,24,26)
InChIKeyYOWFYLSWUKBZBS-UHFFFAOYSA-N
XLogP3.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
CID 119266607
3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 80552219
2-[benzhydryl(methyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 8730143
3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 119682383
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-N,2-diphenylacetamide
CID 112804241
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide
CID 119741246
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide
CID 25161505
3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119684102
1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119266618
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride
CID 119952064
N-(2,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685460

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide (CID 119680720) is 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide?
The InChIKey is YOWFYLSWUKBZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-3-25(12-17(26)24-19-15(21)10-7-11-16(19)22)20(27)13(2)18(23)14-8-5-4-6-9-14/h4-11,13,18H,3,12,23H2,1-2H3,(H,24,26).
What are the key properties of 3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide?
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide has a molecular weight of 375.42 g/mol, XLogP of 3.09, 7 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-ethyl-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119680720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).