3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide

C13H17F2NO3 — CID 66169617

IUPAC3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
SMILESCC(O)(CO)CNC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO3/c1-13(19,8-17)7-16-12(18)5-3-9-2-4-10(14)11(15)6-9/h2,4,6,17,19H,3,5,7-8H2,1H3,(H,16,18)
InChIKeyMMVVGWXBTREDJB-UHFFFAOYSA-N
MW273.28 g/mol
LogP0.76
Rot. Bonds6

About 3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide

3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide (PubChem CID 66169617) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
PubChem CID66169617
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
SMILESCC(O)(CO)CNC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO3/c1-13(19,8-17)7-16-12(18)5-3-9-2-4-10(14)11(15)6-9/h2,4,6,17,19H,3,5,7-8H2,1H3,(H,16,18)
InChIKeyMMVVGWXBTREDJB-UHFFFAOYSA-N
XLogP0.76
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114649
N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide
CID 66171129
3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500923
3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 86929314
3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169219
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452290
3-[(3,4-difluorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 66170453
2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66168619
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447050
3-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]-2,2-dimethylpropanoic acid
CID 119249807

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide (CID 66169617) is 3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide is CC(O)(CO)CNC(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
The InChIKey is MMVVGWXBTREDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-13(19,8-17)7-16-12(18)5-3-9-2-4-10(14)11(15)6-9/h2,4,6,17,19H,3,5,7-8H2,1H3,(H,16,18).
What are the key properties of 3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide has a molecular weight of 273.28 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 66169617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).