3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide

C19H19FN2O3 — CID 56786643

IUPAC3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide
SMILESC=CCOc1ccccc1CNC(=O)c1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C19H19FN2O3/c1-3-10-25-18-7-5-4-6-15(18)12-21-19(24)14-8-9-16(20)17(11-14)22-13(2)23/h3-9,11H,1,10,12H2,2H3,(H,21,24)(H,22,23)
InChIKeyPYKQQBPYJPXRNV-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.28
Rot. Bonds7

About 3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide

3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide (PubChem CID 56786643) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide
PubChem CID56786643
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide
SMILESC=CCOc1ccccc1CNC(=O)c1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C19H19FN2O3/c1-3-10-25-18-7-5-4-6-15(18)12-21-19(24)14-8-9-16(20)17(11-14)22-13(2)23/h3-9,11H,1,10,12H2,2H3,(H,21,24)(H,22,23)
InChIKeyPYKQQBPYJPXRNV-UHFFFAOYSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methyl-N-[2-[[N'-methyl-N-[(2-prop-2-enoxyphenyl)methyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111556423
3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
CID 4291445
3,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576879
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
CID 55596596
3-acetamido-N-(3-aminopropyl)-4-fluorobenzamide
CID 119406204
N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 63379238
4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide
CID 82069780
2-methyl-1-[(2-prop-2-enoxyphenyl)methyl]-3-[(2,3,5,6-tetrafluorophenyl)methyl]guanidine
CID 111982893
1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 111116921
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
N-[5-[[[ethylamino-[(2-prop-2-enoxyphenyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111556363

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide?
The IUPAC name of 3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide (CID 56786643) is 3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide is C=CCOc1ccccc1CNC(=O)c1ccc(F)c(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide?
The InChIKey is PYKQQBPYJPXRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-3-10-25-18-7-5-4-6-15(18)12-21-19(24)14-8-9-16(20)17(11-14)22-13(2)23/h3-9,11H,1,10,12H2,2H3,(H,21,24)(H,22,23).
What are the key properties of 3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide?
3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide has a molecular weight of 342.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide is sourced from PubChem (CID 56786643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).