N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide

C12H13FN2O2 — CID 47148094

IUPACN'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C12H13FN2O2/c1-3-6-14-11(16)12(17)15-10-5-4-9(13)7-8(10)2/h3-5,7H,1,6H2,2H3,(H,14,16)(H,15,17)
InChIKeyFRZWCBOJTKFVRO-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.37
Rot. Bonds3

About N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide

N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide (PubChem CID 47148094) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide
PubChem CID47148094
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC NameN'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C12H13FN2O2/c1-3-6-14-11(16)12(17)15-10-5-4-9(13)7-8(10)2/h3-5,7H,1,6H2,2H3,(H,14,16)(H,15,17)
InChIKeyFRZWCBOJTKFVRO-UHFFFAOYSA-N
XLogP1.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.37
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'-(2,5-difluorophenyl)-N-prop-2-enyloxamide
CID 7585077
N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 124624751
N-(4-fluoro-2-methylphenyl)-2-oxopropanamide
CID 143920338
4-fluoro-2-methyl-N-prop-2-enylaniline
CID 62141811
N'-(3-fluorophenyl)-N-prop-2-enyloxamide
CID 7292817
N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide
CID 47147961
ethyl 2-(4-fluoro-2-methylanilino)-2-oxoacetate
CID 60893380
N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490740
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide
CID 108941329
N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide
CID 4185911
N'-(4-ethylphenyl)-N-prop-2-enyloxamide
CID 7541573

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide?
The IUPAC name of N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide (CID 47148094) is N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide.
What is the SMILES notation for N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide?
The canonical SMILES for N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)Nc1ccc(F)cc1C.
What is the InChIKey of N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide?
The InChIKey is FRZWCBOJTKFVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-3-6-14-11(16)12(17)15-10-5-4-9(13)7-8(10)2/h3-5,7H,1,6H2,2H3,(H,14,16)(H,15,17).
What are the key properties of N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide?
N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide has a molecular weight of 236.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide is sourced from PubChem (CID 47148094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).