4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide

C13H19FN2O2 — CID 62341432

IUPAC4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide
SMILESCC(C)NCCOCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-9(2)16-5-6-18-8-11-7-10(13(15)17)3-4-12(11)14/h3-4,7,9,16H,5-6,8H2,1-2H3,(H2,15,17)
InChIKeyUZUQSQYIAWVLAV-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.44
Rot. Bonds7

About 4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide

4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide (PubChem CID 62341432) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide
PubChem CID62341432
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide
SMILESCC(C)NCCOCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-9(2)16-5-6-18-8-11-7-10(13(15)17)3-4-12(11)14/h3-4,7,9,16H,5-6,8H2,1-2H3,(H2,15,17)
InChIKeyUZUQSQYIAWVLAV-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

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
CID 24694362
4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide
CID 62335925
4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide
CID 43199134
4-[3-(propan-2-ylamino)propoxymethyl]benzamide
CID 62343389
3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide
CID 64573984
4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 79249549
4-fluoro-3-[(2-methoxyethylamino)methyl]benzamide
CID 28565646
4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide
CID 43567882
3-[(but-3-yn-2-ylamino)methyl]-4-fluorobenzamide
CID 114416954
4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
CID 43199111
N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine
CID 105372265
3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide
CID 65202032

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide?
The IUPAC name of 4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide (CID 62341432) is 4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide?
The canonical SMILES for 4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide is CC(C)NCCOCc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide?
The InChIKey is UZUQSQYIAWVLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(2)16-5-6-18-8-11-7-10(13(15)17)3-4-12(11)14/h3-4,7,9,16H,5-6,8H2,1-2H3,(H2,15,17).
What are the key properties of 4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide?
4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide 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 4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide is sourced from PubChem (CID 62341432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).