2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide

C11H13Cl2NO3 — CID 78889646

IUPAC2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)NCCO
InChIInChI=1S/C11H13Cl2NO3/c1-7(11(16)14-4-5-15)17-8-2-3-9(12)10(13)6-8/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKeyXGORLBKYLVTVAR-UHFFFAOYSA-N
MW278.13 g/mol
LogP1.87
Rot. Bonds5

About 2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide

2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide (PubChem CID 78889646) has the molecular formula C11H13Cl2NO3 and a molecular weight of 278.13 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
PubChem CID78889646
Molecular FormulaC11H13Cl2NO3
Molecular Weight278.13 g/mol
Exact Mass277.03
IUPAC Name2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)NCCO
InChIInChI=1S/C11H13Cl2NO3/c1-7(11(16)14-4-5-15)17-8-2-3-9(12)10(13)6-8/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKeyXGORLBKYLVTVAR-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119505468
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 110895980
(2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 95774668
(2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 26539751
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534233
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
CID 55980921

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide (CID 78889646) is 2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)NCCO.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide?
The InChIKey is XGORLBKYLVTVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3/c1-7(11(16)14-4-5-15)17-8-2-3-9(12)10(13)6-8/h2-3,6-7,15H,4-5H2,1H3,(H,14,16).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide?
2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide has a molecular weight of 278.13 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 78889646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).