N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide

C11H13F2NO3 — CID 66170625

IUPACN-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide
SMILESCC(O)(CO)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO3/c1-11(17,6-15)5-14-10(16)7-2-8(12)4-9(13)3-7/h2-4,15,17H,5-6H2,1H3,(H,14,16)
InChIKeyGXZUNLDZYNDODN-UHFFFAOYSA-N
MW245.22 g/mol
LogP0.44
Rot. Bonds4

About N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide

N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide (PubChem CID 66170625) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide
PubChem CID66170625
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide
SMILESCC(O)(CO)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO3/c1-11(17,6-15)5-14-10(16)7-2-8(12)4-9(13)3-7/h2-4,15,17H,5-6H2,1H3,(H,14,16)
InChIKeyGXZUNLDZYNDODN-UHFFFAOYSA-N
XLogP0.44
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172560
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide
CID 66169373
3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide
CID 106139452
3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390562
3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380870
3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 71972456
N-(2,3-dihydroxy-2-methylpropyl)-3-fluoro-4-nitrobenzamide
CID 66168183
N-(2,3-dihydroxy-2-methylpropyl)-4-fluoro-3-nitrobenzamide
CID 66170434
N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 66170627
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66185809

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide (CID 66170625) is N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide is CC(O)(CO)CNC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide?
The InChIKey is GXZUNLDZYNDODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-11(17,6-15)5-14-10(16)7-2-8(12)4-9(13)3-7/h2-4,15,17H,5-6H2,1H3,(H,14,16).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide?
N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide has a molecular weight of 245.22 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide is sourced from PubChem (CID 66170625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).