2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide

C12H14F2N2O3 — CID 141369270

IUPAC2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
SMILESCC(C)(O)C(=O)NCc1ccc(C(N)=O)c(F)c1F
InChIInChI=1S/C12H14F2N2O3/c1-12(2,19)11(18)16-5-6-3-4-7(10(15)17)9(14)8(6)13/h3-4,19H,5H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyRMUUWRYBXBYDJI-UHFFFAOYSA-N
MW272.25 g/mol
LogP0.45
Rot. Bonds4

About 2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide

2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide (PubChem CID 141369270) has the molecular formula C12H14F2N2O3 and a molecular weight of 272.25 g/mol. Its IUPAC name is 2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
PubChem CID141369270
Molecular FormulaC12H14F2N2O3
Molecular Weight272.25 g/mol
Exact Mass272.10
IUPAC Name2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
SMILESCC(C)(O)C(=O)NCc1ccc(C(N)=O)c(F)c1F
InChIInChI=1S/C12H14F2N2O3/c1-12(2,19)11(18)16-5-6-3-4-7(10(15)17)9(14)8(6)13/h3-4,19H,5H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyRMUUWRYBXBYDJI-UHFFFAOYSA-N
XLogP0.45
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide
CID 141369274
4-[[(2-cyanoacetyl)amino]methyl]-2,3-difluorobenzamide
CID 144743980
2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide
CID 144743988
2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide
CID 144743989
3-amino-N-[(2,4-difluorophenyl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 55053279
N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide
CID 123262796
4-[(2S)-3-amino-2-(dimethylamino)propyl]-2,3-difluorobenzamide
CID 165405448
2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 82109819
2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate
CID 71063832
2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 106509800
4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide
CID 91134081
N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide
CID 118212780

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide?
The IUPAC name of 2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide (CID 141369270) is 2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide.
What is the SMILES notation for 2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide?
The canonical SMILES for 2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide is CC(C)(O)C(=O)NCc1ccc(C(N)=O)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide?
The InChIKey is RMUUWRYBXBYDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3/c1-12(2,19)11(18)16-5-6-3-4-7(10(15)17)9(14)8(6)13/h3-4,19H,5H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide?
2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide has a molecular weight of 272.25 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide is sourced from PubChem (CID 141369270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).