2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide

C11H13Cl2NO3 — CID 43516177

IUPAC2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C11H13Cl2NO3/c1-2-14-10(16)6-17-11-7(5-15)3-8(12)4-9(11)13/h3-4,15H,2,5-6H2,1H3,(H,14,16)
InChIKeyAVVVIPMZCNFOCB-UHFFFAOYSA-N
MW278.13 g/mol
LogP2.00
Rot. Bonds5

About 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide

2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide (PubChem CID 43516177) has the molecular formula C11H13Cl2NO3 and a molecular weight of 278.13 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide
PubChem CID43516177
Molecular FormulaC11H13Cl2NO3
Molecular Weight278.13 g/mol
Exact Mass277.03
IUPAC Name2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C11H13Cl2NO3/c1-2-14-10(16)6-17-11-7(5-15)3-8(12)4-9(11)13/h3-4,15H,2,5-6H2,1H3,(H,14,16)
InChIKeyAVVVIPMZCNFOCB-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide
CID 54931009
[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol
CID 43516247
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide
CID 60905923
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyanomethyl)acetamide
CID 104666010
N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide
CID 79502063
2-(6,8-dichloroquinazolin-4-yl)oxy-N-ethylacetamide
CID 2415100
N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide
CID 60888684
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486646
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486830
[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol
CID 79172958
2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide
CID 104664912
2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide
CID 104664816

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide (CID 43516177) is 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide is CCNC(=O)COc1c(Cl)cc(Cl)cc1CO.
What is the InChIKey of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide?
The InChIKey is AVVVIPMZCNFOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3/c1-2-14-10(16)6-17-11-7(5-15)3-8(12)4-9(11)13/h3-4,15H,2,5-6H2,1H3,(H,14,16).
What are the key properties of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide?
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide has a molecular weight of 278.13 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide is sourced from PubChem (CID 43516177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).