N'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide

C12H13ClN2O2 — CID 2291386

IUPACN'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-2-7-14-11(16)12(17)15-8-9-5-3-4-6-10(9)13/h2-6H,1,7-8H2,(H,14,16)(H,15,17)
InChIKeyVEKNAYSXTWOVIZ-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.26
Rot. Bonds4

About N'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide

N'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide (PubChem CID 2291386) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide
PubChem CID2291386
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-2-7-14-11(16)12(17)15-8-9-5-3-4-6-10(9)13/h2-6H,1,7-8H2,(H,14,16)(H,15,17)
InChIKeyVEKNAYSXTWOVIZ-UHFFFAOYSA-N
XLogP1.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide (CID 2291386) is N'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide?
The InChIKey is VEKNAYSXTWOVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-2-7-14-11(16)12(17)15-8-9-5-3-4-6-10(9)13/h2-6H,1,7-8H2,(H,14,16)(H,15,17).
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide?
N'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide has a molecular weight of 252.70 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N-prop-2-enyloxamide is sourced from PubChem (CID 2291386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).