4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide

C13H19FN2O3 — CID 62015149

IUPAC4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide
SMILESCOCC(O)CN(C)Cc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H19FN2O3/c1-16(7-11(17)8-19-2)6-10-5-9(13(15)18)3-4-12(10)14/h3-5,11,17H,6-8H2,1-2H3,(H2,15,18)
InChIKeyTZQDWDOMBBCNSX-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.36
Rot. Bonds7

About 4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide

4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide (PubChem CID 62015149) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide
PubChem CID62015149
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide
SMILESCOCC(O)CN(C)Cc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H19FN2O3/c1-16(7-11(17)8-19-2)6-10-5-9(13(15)18)3-4-12(10)14/h3-5,11,17H,6-8H2,1-2H3,(H2,15,18)
InChIKeyTZQDWDOMBBCNSX-UHFFFAOYSA-N
XLogP0.36
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62014573
3-bromo-4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzohydrazide
CID 102774672
4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide
CID 43199134
5-fluoro-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzenecarbothioamide
CID 63293236
3-amino-4-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994745
1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 103883811
1-[5-fluoro-2-hydroxy-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]ethanone
CID 62029375
1-[(5-chloro-2-nitrophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 79493100
1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one
CID 62029566
4-fluoro-3-[(2-methoxyethylamino)methyl]benzamide
CID 28565646
4-fluoro-3-[[methyl(2-methylpropyl)amino]methyl]benzenecarbothioamide
CID 43272120
3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide
CID 96540781

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide?
The IUPAC name of 4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide (CID 62015149) is 4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide is COCC(O)CN(C)Cc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide?
The InChIKey is TZQDWDOMBBCNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-16(7-11(17)8-19-2)6-10-5-9(13(15)18)3-4-12(10)14/h3-5,11,17H,6-8H2,1-2H3,(H2,15,18).
What are the key properties of 4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide?
4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide has a molecular weight of 270.30 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide is sourced from PubChem (CID 62015149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).