N'-[(2-chlorophenyl)methyl]-N-methyloxamide

C10H11ClN2O2 — CID 40805406

IUPACN'-[(2-chlorophenyl)methyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C10H11ClN2O2/c1-12-9(14)10(15)13-6-7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyBIEPDYRDNYMJGW-UHFFFAOYSA-N
MW226.66 g/mol
LogP0.70
Rot. Bonds2

About N'-[(2-chlorophenyl)methyl]-N-methyloxamide

N'-[(2-chlorophenyl)methyl]-N-methyloxamide (PubChem CID 40805406) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-methyloxamide
PubChem CID40805406
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C10H11ClN2O2/c1-12-9(14)10(15)13-6-7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyBIEPDYRDNYMJGW-UHFFFAOYSA-N
XLogP0.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N-methyloxamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-methyloxamide (CID 40805406) is N'-[(2-chlorophenyl)methyl]-N-methyloxamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-methyloxamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-methyloxamide is CNC(=O)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-methyloxamide?
The InChIKey is BIEPDYRDNYMJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-12-9(14)10(15)13-6-7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-methyloxamide?
N'-[(2-chlorophenyl)methyl]-N-methyloxamide has a molecular weight of 226.66 g/mol, XLogP of 0.70, 2 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-methyloxamide is sourced from PubChem (CID 40805406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).