4-fluoro-3-methoxy-N-prop-2-enylbenzamide

C11H12FNO2 — CID 80948629

IUPAC4-fluoro-3-methoxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C11H12FNO2/c1-3-6-13-11(14)8-4-5-9(12)10(7-8)15-2/h3-5,7H,1,6H2,2H3,(H,13,14)
InChIKeyCSWXXSOGTNPMCV-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.75
Rot. Bonds4

About 4-fluoro-3-methoxy-N-prop-2-enylbenzamide

4-fluoro-3-methoxy-N-prop-2-enylbenzamide (PubChem CID 80948629) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-prop-2-enylbenzamide
PubChem CID80948629
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name4-fluoro-3-methoxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C11H12FNO2/c1-3-6-13-11(14)8-4-5-9(12)10(7-8)15-2/h3-5,7H,1,6H2,2H3,(H,13,14)
InChIKeyCSWXXSOGTNPMCV-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 35018344
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545
4-chloro-3-fluoro-N-prop-2-enylbenzamide
CID 103875478
3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 106108177
4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide
CID 81049854
methyl 2-bromo-3-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 103492375
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
3,4-dimethoxy-N-(prop-2-enylcarbamothioyl)benzamide
CID 18822898
4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 81003078
3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide
CID 15943188

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-prop-2-enylbenzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-prop-2-enylbenzamide (CID 80948629) is 4-fluoro-3-methoxy-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-prop-2-enylbenzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of 4-fluoro-3-methoxy-N-prop-2-enylbenzamide?
The InChIKey is CSWXXSOGTNPMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-3-6-13-11(14)8-4-5-9(12)10(7-8)15-2/h3-5,7H,1,6H2,2H3,(H,13,14).
What are the key properties of 4-fluoro-3-methoxy-N-prop-2-enylbenzamide?
4-fluoro-3-methoxy-N-prop-2-enylbenzamide has a molecular weight of 209.22 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 80948629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).