2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide

C12H13ClN2O3 — CID 2707683

IUPAC2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O3/c1-2-6-14-12(17)15-11(16)8-18-10-5-3-4-9(13)7-10/h2-5,7H,1,6,8H2,(H2,14,15,16,17)
InChIKeyPSANAOYUIBCFQV-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.73
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide

2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 2707683) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID2707683
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O3/c1-2-6-14-12(17)15-11(16)8-18-10-5-3-4-9(13)7-10/h2-5,7H,1,6,8H2,(H2,14,15,16,17)
InChIKeyPSANAOYUIBCFQV-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
CID 54908616
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-chlorobenzoate
CID 2628119
2-(3-chlorophenoxy)-N-(methylcarbamoyl)acetamide
CID 2707679
2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2707681
2-(3-iodophenoxy)-N-prop-2-enylacetamide
CID 60626724
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide
CID 112775456
2-(3-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2681751
2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide
CID 51106504
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide (CID 2707683) is 2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is PSANAOYUIBCFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-2-6-14-12(17)15-11(16)8-18-10-5-3-4-9(13)7-10/h2-5,7H,1,6,8H2,(H2,14,15,16,17).
What are the key properties of 2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide?
2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 268.70 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 2707683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).