2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide

C13H17ClFNO3 — CID 115744446

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
SMILESCC(C)C(O)CNC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO3/c1-8(2)11(17)6-16-13(18)7-19-12-4-3-9(15)5-10(12)14/h3-5,8,11,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyCHQOAIDWRAGHFP-UHFFFAOYSA-N
MW289.73 g/mol
LogP1.99
Rot. Bonds6

About 2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide

2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide (PubChem CID 115744446) has the molecular formula C13H17ClFNO3 and a molecular weight of 289.73 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
PubChem CID115744446
Molecular FormulaC13H17ClFNO3
Molecular Weight289.73 g/mol
Exact Mass289.09
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
SMILESCC(C)C(O)CNC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO3/c1-8(2)11(17)6-16-13(18)7-19-12-4-3-9(15)5-10(12)14/h3-5,8,11,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyCHQOAIDWRAGHFP-UHFFFAOYSA-N
XLogP1.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624
4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid
CID 107831753
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119429515
2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide
CID 115410094
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915108
N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115701647
2-(4-bromo-2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914789
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
(2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9428468

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide (CID 115744446) is 2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide is CC(C)C(O)CNC(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide?
The InChIKey is CHQOAIDWRAGHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3/c1-8(2)11(17)6-16-13(18)7-19-12-4-3-9(15)5-10(12)14/h3-5,8,11,17H,6-7H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide?
2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide has a molecular weight of 289.73 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide is sourced from PubChem (CID 115744446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).