3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide

C14H19FN2O2 — CID 106401656

IUPAC3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide
SMILESC=CCCOCCNCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-2-3-7-19-8-6-17-10-12-9-11(14(16)18)4-5-13(12)15/h2,4-5,9,17H,1,3,6-8,10H2,(H2,16,18)
InChIKeyNYFLRMXSALJIJL-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.61
Rot. Bonds9

About 3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide

3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide (PubChem CID 106401656) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide
PubChem CID106401656
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide
SMILESC=CCCOCCNCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-2-3-7-19-8-6-17-10-12-9-11(14(16)18)4-5-13(12)15/h2,4-5,9,17H,1,3,6-8,10H2,(H2,16,18)
InChIKeyNYFLRMXSALJIJL-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-[(2-methoxyethylamino)methyl]benzamide
CID 28565646
4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide
CID 106309827
4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide
CID 43499997
2-but-3-enoxy-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 103854452
methyl 4-[(2-but-3-enoxyethylamino)methyl]benzoate
CID 103923899
4-fluoro-3-[(4-methylsulfanylbutylamino)methyl]benzamide
CID 113487487
4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide
CID 106131097
4-[(2-prop-2-enoxyethylamino)methyl]benzamide
CID 113362799
N-[(3-bromo-4-fluorophenyl)methyl]-2-but-3-enoxyethanamine
CID 103854477
4-fluoro-3-[[3-(methanesulfonamido)propylamino]methyl]benzamide
CID 106336500
N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide
CID 103855610
2-but-3-enoxy-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 103854371

Frequently Asked Questions

What is the IUPAC name of 3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide?
The IUPAC name of 3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide (CID 106401656) is 3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide is C=CCCOCCNCc1cc(C(N)=O)ccc1F.
What is the InChIKey of 3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide?
The InChIKey is NYFLRMXSALJIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-3-7-19-8-6-17-10-12-9-11(14(16)18)4-5-13(12)15/h2,4-5,9,17H,1,3,6-8,10H2,(H2,16,18).
What are the key properties of 3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide?
3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide has a molecular weight of 266.32 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide is sourced from PubChem (CID 106401656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).