2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide

C11H11Cl2NO3 — CID 170771177

IUPAC2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide
SMILESC=CCONC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-2-5-17-14-11(15)7-16-10-4-3-8(12)6-9(10)13/h2-4,6H,1,5,7H2,(H,14,15)
InChIKeyZLINYCNEXGEMMS-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.61
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide

2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide (PubChem CID 170771177) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide
PubChem CID170771177
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide
SMILESC=CCONC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-2-5-17-14-11(15)7-16-10-4-3-8(12)6-9(10)13/h2-4,6H,1,5,7H2,(H,14,15)
InChIKeyZLINYCNEXGEMMS-UHFFFAOYSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668024
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
ethenyl 2-(2,4-dichlorophenoxy)acetate
CID 11806970
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
but-3-enyl 2-(2,4-dichlorophenoxy)acetate
CID 57097632
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
N-cyclopentyloxy-2-(2,4-dichlorophenoxy)acetamide
CID 83202778
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668138
ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
CID 2628002
N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide
CID 134122788
2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene
CID 170771215
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
CID 52540404

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide (CID 170771177) is 2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide is C=CCONC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide?
The InChIKey is ZLINYCNEXGEMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c1-2-5-17-14-11(15)7-16-10-4-3-8(12)6-9(10)13/h2-4,6H,1,5,7H2,(H,14,15).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide?
2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide has a molecular weight of 276.12 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide is sourced from PubChem (CID 170771177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).