N'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide

C12H13FN2O2 — CID 2178375

IUPACN'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O2/c1-2-7-14-11(16)12(17)15-8-9-3-5-10(13)6-4-9/h2-6H,1,7-8H2,(H,14,16)(H,15,17)
InChIKeyOIHZJQBIHAXYSZ-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.74
Rot. Bonds4

About N'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide

N'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide (PubChem CID 2178375) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide
PubChem CID2178375
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O2/c1-2-7-14-11(16)12(17)15-8-9-3-5-10(13)6-4-9/h2-6H,1,7-8H2,(H,14,16)(H,15,17)
InChIKeyOIHZJQBIHAXYSZ-UHFFFAOYSA-N
XLogP0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide 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
4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
N-Benzylacetamide
CID 11500
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
1-Benzylimidazolidine-2,4,5-trione
CID 562619
N-benzyl-5-oxopyrrolidine-2-carboxamide
CID 3519775
Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
N-benzyl-2-bromoacetamide
CID 145664
N-benzyl-2-cyanoacetamide
CID 668298
N,N'-Dibenzyloxamide
CID 219253
3-Benzylaminopropionamide
CID 85451
4-Benzylpiperazine-2,6-dione
CID 560967

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide (CID 2178375) is N'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide?
The InChIKey is OIHZJQBIHAXYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-2-7-14-11(16)12(17)15-8-9-3-5-10(13)6-4-9/h2-6H,1,7-8H2,(H,14,16)(H,15,17).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide?
N'-[(4-fluorophenyl)methyl]-N-prop-2-enyloxamide has a molecular weight of 236.25 g/mol, XLogP of 0.74, 4 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-prop-2-enyloxamide is sourced from PubChem (CID 2178375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).