2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide

C11H11Cl2F2NO3 — CID 104858144

IUPAC2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NCC(F)(F)CO
InChIInChI=1S/C11H11Cl2F2NO3/c12-7-1-2-8(13)9(3-7)19-4-10(18)16-5-11(14,15)6-17/h1-3,17H,4-6H2,(H,16,18)
InChIKeyPBUHFXDIIKHGQJ-UHFFFAOYSA-N
MW314.12 g/mol
LogP2.12
Rot. Bonds6

About 2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide

2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide (PubChem CID 104858144) has the molecular formula C11H11Cl2F2NO3 and a molecular weight of 314.12 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
PubChem CID104858144
Molecular FormulaC11H11Cl2F2NO3
Molecular Weight314.12 g/mol
Exact Mass313.01
IUPAC Name2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NCC(F)(F)CO
InChIInChI=1S/C11H11Cl2F2NO3/c12-7-1-2-8(13)9(3-7)19-4-10(18)16-5-11(14,15)6-17/h1-3,17H,4-6H2,(H,16,18)
InChIKeyPBUHFXDIIKHGQJ-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 8578532
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 47115759
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54962260
4-[[2-(2,5-dichlorophenoxy)acetyl]amino]butanoic acid
CID 43241696
2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66109028
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504659
2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60735799
2-(2,5-dichlorophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7185406
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 18266874

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide (CID 104858144) is 2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide is O=C(COc1cc(Cl)ccc1Cl)NCC(F)(F)CO.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The InChIKey is PBUHFXDIIKHGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F2NO3/c12-7-1-2-8(13)9(3-7)19-4-10(18)16-5-11(14,15)6-17/h1-3,17H,4-6H2,(H,16,18).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide has a molecular weight of 314.12 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide is sourced from PubChem (CID 104858144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).