4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide

C13H19FN2O3 — CID 106309827

IUPAC4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide
SMILESNC(=O)c1ccc(F)c(CNCCCOCCO)c1
InChIInChI=1S/C13H19FN2O3/c14-12-3-2-10(13(15)18)8-11(12)9-16-4-1-6-19-7-5-17/h2-3,8,16-17H,1,4-7,9H2,(H2,15,18)
InChIKeyBSWXSZAVEUEMNT-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.41
Rot. Bonds9

About 4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide

4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide (PubChem CID 106309827) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide
PubChem CID106309827
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide
SMILESNC(=O)c1ccc(F)c(CNCCCOCCO)c1
InChIInChI=1S/C13H19FN2O3/c14-12-3-2-10(13(15)18)8-11(12)9-16-4-1-6-19-7-5-17/h2-3,8,16-17H,1,4-7,9H2,(H2,15,18)
InChIKeyBSWXSZAVEUEMNT-UHFFFAOYSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide
CID 43499997
4-fluoro-3-[(2-methoxyethylamino)methyl]benzamide
CID 28565646
3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide
CID 106401656
3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide
CID 103992655
4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide
CID 106131097
4-fluoro-3-[(4-methylsulfanylbutylamino)methyl]benzamide
CID 113487487
2-[3-[(2,4,5-trifluorophenyl)methylamino]propoxy]ethanol
CID 103992547
4-fluoro-3-[[3-(methanesulfonamido)propylamino]methyl]benzamide
CID 106336500
3-chloro-4-[(3-propoxypropylamino)methyl]benzamide
CID 102664947
4-[[3-(dimethylamino)propylamino]methyl]-3-fluorobenzamide
CID 28583705
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide?
The IUPAC name of 4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide (CID 106309827) is 4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide is NC(=O)c1ccc(F)c(CNCCCOCCO)c1.
What is the InChIKey of 4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide?
The InChIKey is BSWXSZAVEUEMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c14-12-3-2-10(13(15)18)8-11(12)9-16-4-1-6-19-7-5-17/h2-3,8,16-17H,1,4-7,9H2,(H2,15,18).
What are the key properties of 4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide?
4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide has a molecular weight of 270.30 g/mol, XLogP of 0.41, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide is sourced from PubChem (CID 106309827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).