2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide

C16H14FNO2 — CID 6461638

IUPAC2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H14FNO2/c1-2-10-20-13-7-5-6-12(11-13)18-16(19)14-8-3-4-9-15(14)17/h2-9,11H,1,10H2,(H,18,19)
InChIKeyAUOAJINOAVALDR-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.64
Rot. Bonds5

About 2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide

2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide (PubChem CID 6461638) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide
PubChem CID6461638
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H14FNO2/c1-2-10-20-13-7-5-6-12(11-13)18-16(19)14-8-3-4-9-15(14)17/h2-9,11H,1,10H2,(H,18,19)
InChIKeyAUOAJINOAVALDR-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.64
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-(3-prop-2-enoxyphenyl)-2-propoxybenzamide
CID 17086740
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
2-fluoro-N-(3-hexoxyphenyl)benzamide
CID 17094825
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
2-benzylsulfanyl-N-(3-prop-2-enoxyphenyl)benzamide
CID 19062837
2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086733
2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide
CID 6457389
2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086764
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
2-methyl-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide
CID 17086820
5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086780
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide (CID 6461638) is 2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide is C=CCOc1cccc(NC(=O)c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide?
The InChIKey is AUOAJINOAVALDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-2-10-20-13-7-5-6-12(11-13)18-16(19)14-8-3-4-9-15(14)17/h2-9,11H,1,10H2,(H,18,19).
What are the key properties of 2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide?
2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide has a molecular weight of 271.29 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 6461638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).