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

C11H12ClF2NO3 — CID 113258574

IUPAC2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC(O)C(F)F
InChIInChI=1S/C11H12ClF2NO3/c12-7-1-3-8(4-2-7)18-6-10(17)15-5-9(16)11(13)14/h1-4,9,11,16H,5-6H2,(H,15,17)
InChIKeyMDUXNZMWTRWCSJ-UHFFFAOYSA-N
MW279.67 g/mol
LogP1.46
Rot. Bonds6

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

2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide (PubChem CID 113258574) has the molecular formula C11H12ClF2NO3 and a molecular weight of 279.67 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
PubChem CID113258574
Molecular FormulaC11H12ClF2NO3
Molecular Weight279.67 g/mol
Exact Mass279.05
IUPAC Name2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC(O)C(F)F
InChIInChI=1S/C11H12ClF2NO3/c12-7-1-3-8(4-2-7)18-6-10(17)15-5-9(16)11(13)14/h1-4,9,11,16H,5-6H2,(H,15,17)
InChIKeyMDUXNZMWTRWCSJ-UHFFFAOYSA-N
XLogP1.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
CID 103770190
2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66177064
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide
CID 103770426
2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007084
N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide
CID 112501724
N-(2-chloro-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide
CID 113272098
2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889268
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide
CID 62666128
2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593764
2-(4-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653266
N-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide
CID 113274546
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide (CID 113258574) is 2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide is O=C(COc1ccc(Cl)cc1)NCC(O)C(F)F.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The InChIKey is MDUXNZMWTRWCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO3/c12-7-1-3-8(4-2-7)18-6-10(17)15-5-9(16)11(13)14/h1-4,9,11,16H,5-6H2,(H,15,17).
What are the key properties of 2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide has a molecular weight of 279.67 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 113258574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).