N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide

C18H19FN2O2 — CID 108523264

IUPACN'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-2-21(13-15-6-4-3-5-7-15)18(23)17(22)20-12-14-8-10-16(19)11-9-14/h3-11H,2,12-13H2,1H3,(H,20,22)
InChIKeyJUIASTYATUIPCA-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.49
Rot. Bonds5

About N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide

N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide (PubChem CID 108523264) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide
PubChem CID108523264
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-2-21(13-15-6-4-3-5-7-15)18(23)17(22)20-12-14-8-10-16(19)11-9-14/h3-11H,2,12-13H2,1H3,(H,20,22)
InChIKeyJUIASTYATUIPCA-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.49
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

1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide
CID 108518654
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide
CID 111596241
N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide
CID 87039327
N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108518112
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108526117
N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108963223
1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea
CID 108867698
N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide
CID 108523230

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide (CID 108523264) is N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide is CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is JUIASTYATUIPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-2-21(13-15-6-4-3-5-7-15)18(23)17(22)20-12-14-8-10-16(19)11-9-14/h3-11H,2,12-13H2,1H3,(H,20,22).
What are the key properties of N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide?
N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 314.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 108523264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).