N'-(3-fluorophenyl)-N-prop-2-enyloxamide

C11H11FN2O2 — CID 7292817

IUPACN'-(3-fluorophenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H11FN2O2/c1-2-6-13-10(15)11(16)14-9-5-3-4-8(12)7-9/h2-5,7H,1,6H2,(H,13,15)(H,14,16)
InChIKeyUUMQCDJNVNJLIH-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.07
Rot. Bonds3

About N'-(3-fluorophenyl)-N-prop-2-enyloxamide

N'-(3-fluorophenyl)-N-prop-2-enyloxamide (PubChem CID 7292817) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-prop-2-enyloxamide
PubChem CID7292817
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC NameN'-(3-fluorophenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H11FN2O2/c1-2-6-13-10(15)11(16)14-9-5-3-4-8(12)7-9/h2-5,7H,1,6H2,(H,13,15)(H,14,16)
InChIKeyUUMQCDJNVNJLIH-UHFFFAOYSA-N
XLogP1.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.07
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'}

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Related Compounds

N'-(3-methylphenyl)-N-prop-2-enyloxamide
CID 2290778
N'-(3-chlorophenyl)-N-prop-2-enyloxamide
CID 2058074
4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043611
4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109145001
N'-(2,5-difluorophenyl)-N-prop-2-enyloxamide
CID 7585077
N-(2-acetamidoethyl)-N'-(3-fluorophenyl)oxamide
CID 47226155
N-(3-fluorophenyl)-2-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]acetamide;hydroiodide
CID 110981152
N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide
CID 47148094
N'-(4-ethylphenyl)-N-prop-2-enyloxamide
CID 7541573
N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide
CID 2272581
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
N'-(2,6-difluorophenyl)-N-(3-fluorophenyl)oxamide
CID 108522116

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N-prop-2-enyloxamide?
The IUPAC name of N'-(3-fluorophenyl)-N-prop-2-enyloxamide (CID 7292817) is N'-(3-fluorophenyl)-N-prop-2-enyloxamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N-prop-2-enyloxamide?
The canonical SMILES for N'-(3-fluorophenyl)-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N-prop-2-enyloxamide?
The InChIKey is UUMQCDJNVNJLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-2-6-13-10(15)11(16)14-9-5-3-4-8(12)7-9/h2-5,7H,1,6H2,(H,13,15)(H,14,16).
What are the key properties of N'-(3-fluorophenyl)-N-prop-2-enyloxamide?
N'-(3-fluorophenyl)-N-prop-2-enyloxamide has a molecular weight of 222.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-prop-2-enyloxamide is sourced from PubChem (CID 7292817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).