2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide

C11H11BrClNO2 — CID 2234817

IUPAC2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C11H11BrClNO2/c1-2-5-14-11(15)7-16-10-4-3-8(12)6-9(10)13/h2-4,6H,1,5,7H2,(H,14,15)
InChIKeyMQQOCPRQVILUAW-UHFFFAOYSA-N
MW304.57 g/mol
LogP2.78
Rot. Bonds5

About 2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide

2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide (PubChem CID 2234817) has the molecular formula C11H11BrClNO2 and a molecular weight of 304.57 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide
PubChem CID2234817
Molecular FormulaC11H11BrClNO2
Molecular Weight304.57 g/mol
Exact Mass302.97
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C11H11BrClNO2/c1-2-5-14-11(15)7-16-10-4-3-8(12)6-9(10)13/h2-4,6H,1,5,7H2,(H,14,15)
InChIKeyMQQOCPRQVILUAW-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.57
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide (CID 2234817) is 2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide?
The InChIKey is MQQOCPRQVILUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO2/c1-2-5-14-11(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-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide?
2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide has a molecular weight of 304.57 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide is sourced from PubChem (CID 2234817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).