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

C13H16F2N2O4 — CID 141369274

IUPAC2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide
SMILESCC(CO)(CO)C(=O)NCc1ccc(C(N)=O)c(F)c1F
InChIInChI=1S/C13H16F2N2O4/c1-13(5-18,6-19)12(21)17-4-7-2-3-8(11(16)20)10(15)9(7)14/h2-3,18-19H,4-6H2,1H3,(H2,16,20)(H,17,21)
InChIKeyNVYKLTYXFRUCFC-UHFFFAOYSA-N
MW302.28 g/mol
LogP-0.33
Rot. Bonds6

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

2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide (PubChem CID 141369274) has the molecular formula C13H16F2N2O4 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide
PubChem CID141369274
Molecular FormulaC13H16F2N2O4
Molecular Weight302.28 g/mol
Exact Mass302.11
IUPAC Name2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide
SMILESCC(CO)(CO)C(=O)NCc1ccc(C(N)=O)c(F)c1F
InChIInChI=1S/C13H16F2N2O4/c1-13(5-18,6-19)12(21)17-4-7-2-3-8(11(16)20)10(15)9(7)14/h2-3,18-19H,4-6H2,1H3,(H2,16,20)(H,17,21)
InChIKeyNVYKLTYXFRUCFC-UHFFFAOYSA-N
XLogP-0.33
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 141369270
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
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide
CID 110487486
N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide
CID 118212780
2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 90019133

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide?
The IUPAC name of 2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide (CID 141369274) is 2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide.
What is the SMILES notation for 2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide?
The canonical SMILES for 2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide is CC(CO)(CO)C(=O)NCc1ccc(C(N)=O)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide?
The InChIKey is NVYKLTYXFRUCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O4/c1-13(5-18,6-19)12(21)17-4-7-2-3-8(11(16)20)10(15)9(7)14/h2-3,18-19H,4-6H2,1H3,(H2,16,20)(H,17,21).
What are the key properties of 2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide?
2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide has a molecular weight of 302.28 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide is sourced from PubChem (CID 141369274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).