2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide

C14H18Cl2N2O3 — CID 9196840

IUPAC2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-3-17-13(19)8-18(4-2)14(20)9-21-10-5-6-11(15)12(16)7-10/h5-7H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyICZDOWVWXIUWDW-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.36
Rot. Bonds7

About 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide

2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide (PubChem CID 9196840) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide
PubChem CID9196840
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-3-17-13(19)8-18(4-2)14(20)9-21-10-5-6-11(15)12(16)7-10/h5-7H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyICZDOWVWXIUWDW-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide (CID 9196840) is 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)C(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide?
The InChIKey is ICZDOWVWXIUWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-3-17-13(19)8-18(4-2)14(20)9-21-10-5-6-11(15)12(16)7-10/h5-7H,3-4,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide?
2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide has a molecular weight of 333.22 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 9196840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).