2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide

C13H17Cl2NO3 — CID 60703186

IUPAC2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-2-5-16(6-7-17)13(18)9-19-12-8-10(14)3-4-11(12)15/h3-4,8,17H,2,5-7,9H2,1H3
InChIKeyHVBARALTCQBZRD-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.60
Rot. Bonds7

About 2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide

2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide (PubChem CID 60703186) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
PubChem CID60703186
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-2-5-16(6-7-17)13(18)9-19-12-8-10(14)3-4-11(12)15/h3-4,8,17H,2,5-7,9H2,1H3
InChIKeyHVBARALTCQBZRD-UHFFFAOYSA-N
XLogP2.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115772778
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60682396
ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]-ethylamino]acetate
CID 61021135
N-(2-hydroxyethyl)-2-(2-methoxyphenoxy)-N-propylacetamide
CID 60655941
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate
CID 112843696
2-(2,5-dichlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55398454
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
2-[propyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetic acid
CID 61013284
2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide
CID 60773290
2-[[2-(2,5-dichlorophenoxy)acetyl]-methylamino]propanoic acid
CID 62626399
2-[[2-(2,5-dichlorophenoxy)acetyl]-prop-2-ynylamino]acetic acid
CID 79274065
3-[[2-(2,5-dichlorophenoxy)acetyl]-ethylamino]butanoic acid
CID 62827242

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide (CID 60703186) is 2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide is CCCN(CCO)C(=O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide?
The InChIKey is HVBARALTCQBZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-2-5-16(6-7-17)13(18)9-19-12-8-10(14)3-4-11(12)15/h3-4,8,17H,2,5-7,9H2,1H3.
What are the key properties of 2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide?
2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide has a molecular weight of 306.19 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide is sourced from PubChem (CID 60703186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).