3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide

C11H15FN2O2 — CID 119301144

IUPAC3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide
SMILESNCCC(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C11H15FN2O2/c12-10-5-8(1-2-9(10)7-15)6-14-11(16)3-4-13/h1-2,5,15H,3-4,6-7,13H2,(H,14,16)
InChIKeyKZBYMHUBLGVTHD-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.28
Rot. Bonds5

About 3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide

3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide (PubChem CID 119301144) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide
PubChem CID119301144
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide
SMILESNCCC(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C11H15FN2O2/c12-10-5-8(1-2-9(10)7-15)6-14-11(16)3-4-13/h1-2,5,15H,3-4,6-7,13H2,(H,14,16)
InChIKeyKZBYMHUBLGVTHD-UHFFFAOYSA-N
XLogP0.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pent-4-enamide
CID 56765421
tert-butyl N-{[3-fluoro-4-(hydroxymethyl)phenyl]methyl}carbamate
CID 68220004
tert-butyl N-{[2-fluoro-4-(hydroxymethyl)phenyl]methyl}carbamate
CID 68220064
2-fluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 10932396
N-[hydroxy(phenyl)methyl]acetamide
CID 18363668
[Hydroxy(phenyl)methyl]urea
CID 70115442
3-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-methylpropanamide
CID 71988623
N-[3-(4-fluorophenyl)-3-hydroxypropyl]acetamide
CID 110665708
2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide
CID 10220844
2,2,2-trifluoro-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 25149602
2,2,2-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 25149700

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide (CID 119301144) is 3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide is NCCC(=O)NCc1ccc(CO)c(F)c1.
What is the InChIKey of 3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide?
The InChIKey is KZBYMHUBLGVTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c12-10-5-8(1-2-9(10)7-15)6-14-11(16)3-4-13/h1-2,5,15H,3-4,6-7,13H2,(H,14,16).
What are the key properties of 3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide?
3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide has a molecular weight of 226.25 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 119301144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).