N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide

C21H17ClN2O2 — CID 108516639

IUPACN'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H17ClN2O2/c22-17-11-13-18(14-12-17)23-20(25)21(26)24(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,23,25)
InChIKeyJUQVUKJEVZMTQF-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.51
Rot. Bonds4

About N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide

N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide (PubChem CID 108516639) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide
PubChem CID108516639
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC NameN'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H17ClN2O2/c22-17-11-13-18(14-12-17)23-20(25)21(26)24(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,23,25)
InChIKeyJUQVUKJEVZMTQF-UHFFFAOYSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide
CID 108516125
N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
CID 108520821
N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide
CID 108528257
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide
CID 108987656
N-benzyl-N-(4-chlorophenyl)carbamate
CID 57352330
N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
CID 108515457
2-amino-N-[(4-chlorophenyl)methyl]-N-phenylacetamide
CID 39373717
N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
CID 108523637
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108516466
N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide
CID 108528299

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide?
The IUPAC name of N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide (CID 108516639) is N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide.
What is the SMILES notation for N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide?
The canonical SMILES for N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide is O=C(Nc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide?
The InChIKey is JUQVUKJEVZMTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-17-11-13-18(14-12-17)23-20(25)21(26)24(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,23,25).
What are the key properties of N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide?
N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide has a molecular weight of 364.83 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide is sourced from PubChem (CID 108516639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).