N-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide

C16H14Cl2N2O2 — CID 2916599

IUPACN-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C16H14Cl2N2O2/c1-10(11-6-3-2-4-7-11)19-15(21)16(22)20-13-9-5-8-12(17)14(13)18/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyDCELYKPYUMUWJN-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.81
Rot. Bonds3

About N-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide

N-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide (PubChem CID 2916599) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide
PubChem CID2916599
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC NameN-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C16H14Cl2N2O2/c1-10(11-6-3-2-4-7-11)19-15(21)16(22)20-13-9-5-8-12(17)14(13)18/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyDCELYKPYUMUWJN-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.81
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-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide (CID 2916599) is N-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide?
The InChIKey is DCELYKPYUMUWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-10(11-6-3-2-4-7-11)19-15(21)16(22)20-13-9-5-8-12(17)14(13)18/h2-10H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide?
N-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide has a molecular weight of 337.21 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 2916599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).