N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide

C21H17FN2O2 — CID 108520821

IUPACN'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
SMILESO=C(Nc1ccccc1F)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H17FN2O2/c22-18-13-7-8-14-19(18)23-20(25)21(26)24(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,23,25)
InChIKeyMKGMNESAYJWSDK-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.00
Rot. Bonds4

About N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide

N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide (PubChem CID 108520821) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
PubChem CID108520821
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC NameN'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
SMILESO=C(Nc1ccccc1F)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H17FN2O2/c22-18-13-7-8-14-19(18)23-20(25)21(26)24(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,23,25)
InChIKeyMKGMNESAYJWSDK-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.00
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'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide
CID 108516639
N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
CID 108515457
N-(2-fluorophenyl)-N'-methyl-N'-phenyloxamide
CID 108520782
N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide
CID 108514233
1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea
CID 4803240
1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea
CID 61014414
N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide
CID 108528299
N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide
CID 108516125
N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide
CID 108987656
N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide
CID 108528257
N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108518572
N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide
CID 87039893

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide?
The IUPAC name of N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide (CID 108520821) is N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide.
What is the SMILES notation for N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide?
The canonical SMILES for N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide is O=C(Nc1ccccc1F)C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide?
The InChIKey is MKGMNESAYJWSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-18-13-7-8-14-19(18)23-20(25)21(26)24(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,23,25).
What are the key properties of N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide?
N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide has a molecular weight of 348.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide is sourced from PubChem (CID 108520821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).