N-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide

C18H19ClN2O2 — CID 18588548

IUPACN-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12(2)14-5-9-16(10-6-14)21-18(23)17(22)20-11-13-3-7-15(19)8-4-13/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJRYVUVVHMYXWFR-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.72
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide

N-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide (PubChem CID 18588548) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide
PubChem CID18588548
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12(2)14-5-9-16(10-6-14)21-18(23)17(22)20-11-13-3-7-15(19)8-4-13/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJRYVUVVHMYXWFR-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.72
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]-N'-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide (CID 18588548) is N-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide is CC(C)c1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide?
The InChIKey is JRYVUVVHMYXWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12(2)14-5-9-16(10-6-14)21-18(23)17(22)20-11-13-3-7-15(19)8-4-13/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide?
N-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide has a molecular weight of 330.82 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 18588548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).