1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone

C12H15F2NO2 — CID 62333770

IUPAC1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
SMILESCC(O)CN(C)CC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO2/c1-8(16)6-15(2)7-12(17)9-3-4-10(13)11(14)5-9/h3-5,8,16H,6-7H2,1-2H3
InChIKeyBQSOPENTGXKWOW-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.46
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone

1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone (PubChem CID 62333770) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
PubChem CID62333770
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
SMILESCC(O)CN(C)CC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO2/c1-8(16)6-15(2)7-12(17)9-3-4-10(13)11(14)5-9/h3-5,8,16H,6-7H2,1-2H3
InChIKeyBQSOPENTGXKWOW-UHFFFAOYSA-N
XLogP1.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106916614
1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
CID 79491183
1-(3,4-difluorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethanone
CID 112662119
2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62332829
2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 60680853
1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one
CID 43795734
2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone
CID 60904694
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901
1-(3,4-difluorophenyl)-2-propan-2-ylsulfonylethanone
CID 64637510
(3S)-5-(3,4-difluorophenyl)-3-methyl-5-oxopentanoic acid
CID 7154075
4-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]benzonitrile
CID 62982058
3,4-difluoro-N-(2-hydroxypropoxy)benzamide
CID 87738823

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone (CID 62333770) is 1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone is CC(O)CN(C)CC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
The InChIKey is BQSOPENTGXKWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-8(16)6-15(2)7-12(17)9-3-4-10(13)11(14)5-9/h3-5,8,16H,6-7H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone has a molecular weight of 243.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone is sourced from PubChem (CID 62333770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).