3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide

C13H18F2N2O2 — CID 103887363

IUPAC3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H18F2N2O2/c1-8(13(19)16-2)6-17(3)7-9-4-10(14)12(18)11(15)5-9/h4-5,8,18H,6-7H2,1-3H3,(H,16,19)
InChIKeyWWCULMZIGJYLOV-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.48
Rot. Bonds5

About 3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide

3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 103887363) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
PubChem CID103887363
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H18F2N2O2/c1-8(13(19)16-2)6-17(3)7-9-4-10(14)12(18)11(15)5-9/h4-5,8,18H,6-7H2,1-3H3,(H,16,19)
InChIKeyWWCULMZIGJYLOV-UHFFFAOYSA-N
XLogP1.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide 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-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106914891
3-[(4-bromo-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103722519
2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid
CID 106916306
3-[(5-bromo-2-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103887345
3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103722515
3-[(5-amino-2-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106914812
2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106916265
3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 104870323
3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106916614
N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide
CID 106917983
N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide
CID 75439559
N,2-dimethyl-3-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanamide
CID 106917955

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide (CID 103887363) is 3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)Cc1cc(F)c(O)c(F)c1.
What is the InChIKey of 3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is WWCULMZIGJYLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-8(13(19)16-2)6-17(3)7-9-4-10(14)12(18)11(15)5-9/h4-5,8,18H,6-7H2,1-3H3,(H,16,19).
What are the key properties of 3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide?
3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 272.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 103887363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).