2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide

C13H18ClNO3 — CID 115701670

IUPAC2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
SMILESCC(C)C(O)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO3/c1-9(2)12(16)7-15-13(17)8-18-11-5-3-4-10(14)6-11/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeySHQONFQZFTULJC-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.85
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide

2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide (PubChem CID 115701670) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
PubChem CID115701670
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
SMILESCC(C)C(O)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO3/c1-9(2)12(16)7-15-13(17)8-18-11-5-3-4-10(14)6-11/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeySHQONFQZFTULJC-UHFFFAOYSA-N
XLogP1.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide
CID 114306028
2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide
CID 62652936
N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide
CID 107157608
[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803778
methyl 2-bromo-3-[[2-(3-chlorophenoxy)acetyl]amino]propanoate
CID 103492346
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide
CID 106288395
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725683
N-(1-chloro-3-methylbutan-2-yl)-2-(3-chlorophenoxy)acetamide
CID 113273495
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
(2S,3R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964349

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide (CID 115701670) is 2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide is CC(C)C(O)CNC(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide?
The InChIKey is SHQONFQZFTULJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-9(2)12(16)7-15-13(17)8-18-11-5-3-4-10(14)6-11/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide?
2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide has a molecular weight of 271.74 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide is sourced from PubChem (CID 115701670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).