N'-[(4-fluorophenyl)methyl]-N-methyloxamide

C10H11FN2O2 — CID 40805398

IUPACN'-[(4-fluorophenyl)methyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C10H11FN2O2/c1-12-9(14)10(15)13-6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyNHIQHTZLFVEKMQ-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.19
Rot. Bonds2

About N'-[(4-fluorophenyl)methyl]-N-methyloxamide

N'-[(4-fluorophenyl)methyl]-N-methyloxamide (PubChem CID 40805398) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-methyloxamide
PubChem CID40805398
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C10H11FN2O2/c1-12-9(14)10(15)13-6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyNHIQHTZLFVEKMQ-UHFFFAOYSA-N
XLogP0.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(4-fluorophenyl)methyl]-N-methyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Benzylacrylamide
CID 139428
N-Benzylacetamide
CID 11500
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
1-Benzylimidazolidine-2,4,5-trione
CID 562619
Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
N-benzyl-2-cyanoacetamide
CID 668298
N,N'-Dibenzyloxamide
CID 219253
4-Benzylpiperazine-2,6-dione
CID 560967
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179
1-[(2-Fluorophenyl)methyl]imidazolidine-2,4,5-trione
CID 2767579
N-(4-fluorobenzyl)pentanamide
CID 1741622
Metalkonium Chloride
CID 7535

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-methyloxamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-methyloxamide (CID 40805398) is N'-[(4-fluorophenyl)methyl]-N-methyloxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-methyloxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-methyloxamide is CNC(=O)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-methyloxamide?
The InChIKey is NHIQHTZLFVEKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-12-9(14)10(15)13-6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-methyloxamide?
N'-[(4-fluorophenyl)methyl]-N-methyloxamide has a molecular weight of 210.21 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N-methyloxamide is sourced from PubChem (CID 40805398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).