N'-[(4-chlorophenyl)methyl]oxamide

C9H9ClN2O2 — CID 2248082

IUPACN'-[(4-chlorophenyl)methyl]oxamide
SMILESNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2/c10-7-3-1-6(2-4-7)5-12-9(14)8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)
InChIKeyZKOXFKYXUZFNLI-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.44
Rot. Bonds2

About N'-[(4-chlorophenyl)methyl]oxamide

N'-[(4-chlorophenyl)methyl]oxamide (PubChem CID 2248082) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]oxamide
PubChem CID2248082
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC NameN'-[(4-chlorophenyl)methyl]oxamide
SMILESNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2/c10-7-3-1-6(2-4-7)5-12-9(14)8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)
InChIKeyZKOXFKYXUZFNLI-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.44
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'-[(4-chlorophenyl)methyl]oxamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]oxamide (CID 2248082) is N'-[(4-chlorophenyl)methyl]oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]oxamide is NC(=O)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]oxamide?
The InChIKey is ZKOXFKYXUZFNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-7-3-1-6(2-4-7)5-12-9(14)8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14).
What are the key properties of N'-[(4-chlorophenyl)methyl]oxamide?
N'-[(4-chlorophenyl)methyl]oxamide has a molecular weight of 212.64 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]oxamide is sourced from PubChem (CID 2248082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).