N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide

C11H12F3NO4 — CID 107845997

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide
SMILESO=C(NC(CO)(CO)CO)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H12F3NO4/c12-6-1-7(13)9(8(14)2-6)10(19)15-11(3-16,4-17)5-18/h1-2,16-18H,3-5H2,(H,15,19)
InChIKeyVENNOPCFEOWDKJ-UHFFFAOYSA-N
MW279.21 g/mol
LogP-0.45
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide (PubChem CID 107845997) has the molecular formula C11H12F3NO4 and a molecular weight of 279.21 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide
PubChem CID107845997
Molecular FormulaC11H12F3NO4
Molecular Weight279.21 g/mol
Exact Mass279.07
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide
SMILESO=C(NC(CO)(CO)CO)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H12F3NO4/c12-6-1-7(13)9(8(14)2-6)10(19)15-11(3-16,4-17)5-18/h1-2,16-18H,3-5H2,(H,15,19)
InChIKeyVENNOPCFEOWDKJ-UHFFFAOYSA-N
XLogP-0.45
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 107866560
2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3,4,5,6-pentafluorobenzamide
CID 5050206
3-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-fluorobenzamide
CID 114008312
5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzamide
CID 107844804
1-N,3-N,5-N-tris[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzene-1,3,5-tricarboxamide
CID 10768267
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide
CID 103843286
N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide
CID 65098822
[3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite
CID 142805040
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluoro-2-methylbenzamide
CID 114008483
2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide
CID 114008491
2,4,6-trifluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 65100571

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide (CID 107845997) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide is O=C(NC(CO)(CO)CO)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide?
The InChIKey is VENNOPCFEOWDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4/c12-6-1-7(13)9(8(14)2-6)10(19)15-11(3-16,4-17)5-18/h1-2,16-18H,3-5H2,(H,15,19).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide has a molecular weight of 279.21 g/mol, XLogP of -0.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide is sourced from PubChem (CID 107845997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).