3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide

C13H19FN2O2 — CID 113477255

IUPAC3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide
SMILESCCOC(C)CNCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-3-18-9(2)7-16-8-11-6-10(13(15)17)4-5-12(11)14/h4-6,9,16H,3,7-8H2,1-2H3,(H2,15,17)
InChIKeyPPLJGGZMZNOEIV-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.44
Rot. Bonds7

About 3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide

3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide (PubChem CID 113477255) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide
PubChem CID113477255
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide
SMILESCCOC(C)CNCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-3-18-9(2)7-16-8-11-6-10(13(15)17)4-5-12(11)14/h4-6,9,16H,3,7-8H2,1-2H3,(H2,15,17)
InChIKeyPPLJGGZMZNOEIV-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943
4-fluoro-3-[(2-methylsulfinylpropylamino)methyl]benzamide
CID 113484065
4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
CID 24694362
4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide
CID 43567882
4-fluoro-3-[(2-methoxyethylamino)methyl]benzamide
CID 28565646
4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide
CID 106131097
4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
CID 43199111
4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide
CID 43199134
4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 79249549
4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide
CID 113475198
4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide
CID 43499997
3-[(but-3-yn-2-ylamino)methyl]-4-fluorobenzamide
CID 114416954

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide?
The IUPAC name of 3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide (CID 113477255) is 3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide is CCOC(C)CNCc1cc(C(N)=O)ccc1F.
What is the InChIKey of 3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide?
The InChIKey is PPLJGGZMZNOEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-18-9(2)7-16-8-11-6-10(13(15)17)4-5-12(11)14/h4-6,9,16H,3,7-8H2,1-2H3,(H2,15,17).
What are the key properties of 3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide?
3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide has a molecular weight of 254.30 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide is sourced from PubChem (CID 113477255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).