N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide

C12H15F2NO3 — CID 103770257

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)NCC(O)C(F)F
InChIInChI=1S/C12H15F2NO3/c13-12(14)10(17)7-15-11(18)6-5-8-3-1-2-4-9(8)16/h1-4,10,12,16-17H,5-7H2,(H,15,18)
InChIKeyUJIIVCHGQWIYPJ-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.07
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide

N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide (PubChem CID 103770257) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide
PubChem CID103770257
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)NCC(O)C(F)F
InChIInChI=1S/C12H15F2NO3/c13-12(14)10(17)7-15-11(18)6-5-8-3-1-2-4-9(8)16/h1-4,10,12,16-17H,5-7H2,(H,15,18)
InChIKeyUJIIVCHGQWIYPJ-UHFFFAOYSA-N
XLogP1.07
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diphenylethyl)-3-(2-hydroxyphenyl)propanamide
CID 38638784
N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide
CID 113258582
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide
CID 103769854
N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide
CID 103769874
N-benzyl-3-(2-hydroxyphenyl)propanamide
CID 3438013
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide
CID 110909074
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide
CID 103770198
3-(1,3-benzothiazol-2-yl)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103770425
3-(1H-benzimidazol-2-yl)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103770477
N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide
CID 103770216
3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
CID 110886726

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide (CID 103770257) is N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide is O=C(CCc1ccccc1O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide?
The InChIKey is UJIIVCHGQWIYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c13-12(14)10(17)7-15-11(18)6-5-8-3-1-2-4-9(8)16/h1-4,10,12,16-17H,5-7H2,(H,15,18).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide has a molecular weight of 259.25 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 103770257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).