2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide

C12H16ClNO3 — CID 65110229

IUPAC2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3/c1-12(2,16)8-14-11(15)7-17-10-5-3-9(13)4-6-10/h3-6,16H,7-8H2,1-2H3,(H,14,15)
InChIKeyXZJCKUYYSDCTPT-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.61
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide

2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 65110229) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID65110229
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3/c1-12(2,16)8-14-11(15)7-17-10-5-3-9(13)4-6-10/h3-6,16H,7-8H2,1-2H3,(H,14,15)
InChIKeyXZJCKUYYSDCTPT-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113681
2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899485
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787306
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide
CID 108573287
2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
CID 112504917
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide
CID 112501724
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide (CID 65110229) is 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide is CC(C)(O)CNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is XZJCKUYYSDCTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-12(2,16)8-14-11(15)7-17-10-5-3-9(13)4-6-10/h3-6,16H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide?
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 257.72 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 65110229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).