N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide

C18H19ClN2O2 — CID 108984728

IUPACN-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
SMILESCc1cccc(CNC(=O)C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O2/c1-13-4-2-6-15(10-13)12-21-18(23)17(22)20-9-8-14-5-3-7-16(19)11-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyVGCDXYAGFUPQHO-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.62
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide

N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide (PubChem CID 108984728) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
PubChem CID108984728
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
SMILESCc1cccc(CNC(=O)C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O2/c1-13-4-2-6-15(10-13)12-21-18(23)17(22)20-9-8-14-5-3-7-16(19)11-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyVGCDXYAGFUPQHO-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996919
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135340
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 108984928
N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60611333
N-[2-(4-methoxyphenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984688
N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984715
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945758
N-butyl-N'-[(3-methylphenyl)methyl]oxamide
CID 108983947
N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108984696
N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
CID 108986517
N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60617178

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide (CID 108984728) is N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide is Cc1cccc(CNC(=O)C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide?
The InChIKey is VGCDXYAGFUPQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13-4-2-6-15(10-13)12-21-18(23)17(22)20-9-8-14-5-3-7-16(19)11-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide?
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide has a molecular weight of 330.82 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide is sourced from PubChem (CID 108984728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).