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

C12H17FN2O2 — CID 119301166

IUPAC4-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C12H17FN2O2/c13-11-6-9(3-4-10(11)8-16)7-15-12(17)2-1-5-14/h3-4,6,16H,1-2,5,7-8,14H2,(H,15,17)
InChIKeyILDSOBALLYXFTJ-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.67
Rot. Bonds6

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

4-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide (PubChem CID 119301166) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide
PubChem CID119301166
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name4-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C12H17FN2O2/c13-11-6-9(3-4-10(11)8-16)7-15-12(17)2-1-5-14/h3-4,6,16H,1-2,5,7-8,14H2,(H,15,17)
InChIKeyILDSOBALLYXFTJ-UHFFFAOYSA-N
XLogP0.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide
CID 22769472
N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pent-4-enamide
CID 56765421
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 72002743
N-Isopropyl-4-hydroxymethylbenzamide
CID 152129
tert-butyl N-{[3-fluoro-4-(hydroxymethyl)phenyl]methyl}carbamate
CID 68220004
tert-butyl N-{[2-fluoro-4-(hydroxymethyl)phenyl]methyl}carbamate
CID 68220064
N-cyclohexyl-4-(hydroxymethyl)-benzamide
CID 18363081
Tert-butyl (2,6-difluoro-4-(hydroxymethyl)benzyl)carbamate
CID 178253259
N-[hydroxy(phenyl)methyl]acetamide
CID 18363668
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pivalamide
CID 56765422
N1-(4-fluorobenzyl)-N2-(3-hydroxy-3-phenylpropyl)oxalamide
CID 71782302

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide (CID 119301166) is 4-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide is NCCCC(=O)NCc1ccc(CO)c(F)c1.
What is the InChIKey of 4-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide?
The InChIKey is ILDSOBALLYXFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c13-11-6-9(3-4-10(11)8-16)7-15-12(17)2-1-5-14/h3-4,6,16H,1-2,5,7-8,14H2,(H,15,17).
What are the key properties of 4-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide?
4-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide has a molecular weight of 240.28 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 119301166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).