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

C12H15Cl2NO3 — CID 43516191

IUPAC2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide
SMILESCC(Oc1c(Cl)cc(Cl)cc1CO)C(=O)N(C)C
InChIInChI=1S/C12H15Cl2NO3/c1-7(12(17)15(2)3)18-11-8(6-16)4-9(13)5-10(11)14/h4-5,7,16H,6H2,1-3H3
InChIKeyOUULKRSUBMYJON-UHFFFAOYSA-N
MW292.16 g/mol
LogP2.34
Rot. Bonds4

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

2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide (PubChem CID 43516191) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide
PubChem CID43516191
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Name2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide
SMILESCC(Oc1c(Cl)cc(Cl)cc1CO)C(=O)N(C)C
InChIInChI=1S/C12H15Cl2NO3/c1-7(12(17)15(2)3)18-11-8(6-16)4-9(13)5-10(11)14/h4-5,7,16H,6H2,1-3H3
InChIKeyOUULKRSUBMYJON-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide
CID 43516286
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43516184
2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide
CID 43118029
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982
[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
CID 43516162
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 115954792
2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515771
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide
CID 54928907
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515707
methyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propanoate
CID 63058119
2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide
CID 107715840

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide (CID 43516191) is 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide is CC(Oc1c(Cl)cc(Cl)cc1CO)C(=O)N(C)C.
What is the InChIKey of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide?
The InChIKey is OUULKRSUBMYJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3/c1-7(12(17)15(2)3)18-11-8(6-16)4-9(13)5-10(11)14/h4-5,7,16H,6H2,1-3H3.
What are the key properties of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide?
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide has a molecular weight of 292.16 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 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,N-dimethylpropanamide is sourced from PubChem (CID 43516191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).