2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide

C11H11Cl2F2NO2 — CID 113462723

IUPAC2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NCC(F)(F)CO
InChIInChI=1S/C11H11Cl2F2NO2/c12-8-2-1-7(9(13)4-8)3-10(18)16-5-11(14,15)6-17/h1-2,4,17H,3,5-6H2,(H,16,18)
InChIKeyRFAAHWDYHINPME-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.28
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide

2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide (PubChem CID 113462723) has the molecular formula C11H11Cl2F2NO2 and a molecular weight of 298.12 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
PubChem CID113462723
Molecular FormulaC11H11Cl2F2NO2
Molecular Weight298.12 g/mol
Exact Mass297.01
IUPAC Name2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NCC(F)(F)CO
InChIInChI=1S/C11H11Cl2F2NO2/c12-8-2-1-7(9(13)4-8)3-10(18)16-5-11(14,15)6-17/h1-2,4,17H,3,5-6H2,(H,16,18)
InChIKeyRFAAHWDYHINPME-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide (CID 113462723) is 2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide is O=C(Cc1ccc(Cl)cc1Cl)NCC(F)(F)CO.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The InChIKey is RFAAHWDYHINPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F2NO2/c12-8-2-1-7(9(13)4-8)3-10(18)16-5-11(14,15)6-17/h1-2,4,17H,3,5-6H2,(H,16,18).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide has a molecular weight of 298.12 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide is sourced from PubChem (CID 113462723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).