3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide

C14H18F2N2O2 — CID 106916614

IUPAC3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)CC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O2/c1-9(14(20)17-2)7-18(3)8-13(19)10-4-5-11(15)12(16)6-10/h4-6,9H,7-8H2,1-3H3,(H,17,20)
InChIKeyILYYTEYDDUZYFJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.46
Rot. Bonds6

About 3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide

3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 106916614) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
PubChem CID106916614
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)CC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O2/c1-9(14(20)17-2)7-18(3)8-13(19)10-4-5-11(15)12(16)6-10/h4-6,9H,7-8H2,1-3H3,(H,17,20)
InChIKeyILYYTEYDDUZYFJ-UHFFFAOYSA-N
XLogP1.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62333770
3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106916621
3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106916558
N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide
CID 106916615
4-fluoro-N,3-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103722238
1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
CID 79491183
3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103887363
1-(3,4-difluorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethanone
CID 112662119
3-[(4-bromo-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103722519
2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 60680853
3-[[4-(4-bromophenyl)-4-oxobutyl]-methylamino]-N,2-dimethylpropanamide
CID 106916620
N,2-dimethyl-3-[methyl(2-oxobutyl)amino]propanamide
CID 106916646

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide (CID 106916614) is 3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)CC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is ILYYTEYDDUZYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-9(14(20)17-2)7-18(3)8-13(19)10-4-5-11(15)12(16)6-10/h4-6,9H,7-8H2,1-3H3,(H,17,20).
What are the key properties of 3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 284.31 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106916614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).