2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide

C11H11ClF3NO2 — CID 113258587

IUPAC2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC(O)C(F)F
InChIInChI=1S/C11H11ClF3NO2/c12-7-2-1-3-8(13)6(7)4-10(18)16-5-9(17)11(14)15/h1-3,9,11,17H,4-5H2,(H,16,18)
InChIKeyQTYPUDJOXNGBCN-UHFFFAOYSA-N
MW281.66 g/mol
LogP1.76
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide (PubChem CID 113258587) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
PubChem CID113258587
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC(O)C(F)F
InChIInChI=1S/C11H11ClF3NO2/c12-7-2-1-3-8(13)6(7)4-10(18)16-5-9(17)11(14)15/h1-3,9,11,17H,4-5H2,(H,16,18)
InChIKeyQTYPUDJOXNGBCN-UHFFFAOYSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide
CID 98622782
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide
CID 111662700
4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-methylbutanoic acid
CID 81063329
3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid
CID 114144294
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
N-(2-bromoprop-2-enyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 115594615
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770297
N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 63253339
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86263927
2-(2-chloro-6-fluorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 51179425
N-(2-chloro-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 7959366

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide (CID 113258587) is 2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide is O=C(Cc1c(F)cccc1Cl)NCC(O)C(F)F.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The InChIKey is QTYPUDJOXNGBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c12-7-2-1-3-8(13)6(7)4-10(18)16-5-9(17)11(14)15/h1-3,9,11,17H,4-5H2,(H,16,18).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide has a molecular weight of 281.66 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 113258587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).