N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide

C12H15F2NO3 — CID 103770198

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCC(O)C(F)F
InChIInChI=1S/C12H15F2NO3/c1-18-10-5-3-2-4-8(10)6-11(17)15-7-9(16)12(13)14/h2-5,9,12,16H,6-7H2,1H3,(H,15,17)
InChIKeyIPQZMQNVUNDSED-UHFFFAOYSA-N
MW259.25 g/mol
LogP0.98
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide

N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide (PubChem CID 103770198) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide
PubChem CID103770198
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCC(O)C(F)F
InChIInChI=1S/C12H15F2NO3/c1-18-10-5-3-2-4-8(10)6-11(17)15-7-9(16)12(13)14/h2-5,9,12,16H,6-7H2,1H3,(H,15,17)
InChIKeyIPQZMQNVUNDSED-UHFFFAOYSA-N
XLogP0.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
CID 107832779
2-(2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829739
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
N-[(2R)-2-(ethylamino)propyl]-2-(2-methoxyphenyl)acetamide
CID 120652529
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenyl)acetamide
CID 55652673
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide
CID 95618412
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272
N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide
CID 113276407
1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea
CID 111115085
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide (CID 103770198) is N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is IPQZMQNVUNDSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-18-10-5-3-2-4-8(10)6-11(17)15-7-9(16)12(13)14/h2-5,9,12,16H,6-7H2,1H3,(H,15,17).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 259.25 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 103770198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).