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

C10H13FN2O2 — CID 119301146

IUPAC2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide
SMILESNCC(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C10H13FN2O2/c11-9-3-7(1-2-8(9)6-14)5-13-10(15)4-12/h1-3,14H,4-6,12H2,(H,13,15)
InChIKeyRCOIKJMDCNDCJX-UHFFFAOYSA-N
MW212.22 g/mol
LogP-0.11
Rot. Bonds4

About 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide

2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide (PubChem CID 119301146) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide
PubChem CID119301146
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide
SMILESNCC(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C10H13FN2O2/c11-9-3-7(1-2-8(9)6-14)5-13-10(15)4-12/h1-3,14H,4-6,12H2,(H,13,15)
InChIKeyRCOIKJMDCNDCJX-UHFFFAOYSA-N
XLogP-0.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 5-0.11
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
2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
CID 22769513
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-N'-(1-phenylethyl)ethanediamide
CID 56765501
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)oxalamide
CID 56765504
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
(Hydroxybenzyl)ethylenediamine
CID 67627388
[Hydroxy(phenyl)methyl]urea
CID 70115442
N1-(4-fluorobenzyl)-N2-(3-hydroxypropyl)oxalamide
CID 44996846

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide (CID 119301146) is 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide is NCC(=O)NCc1ccc(CO)c(F)c1.
What is the InChIKey of 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide?
The InChIKey is RCOIKJMDCNDCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c11-9-3-7(1-2-8(9)6-14)5-13-10(15)4-12/h1-3,14H,4-6,12H2,(H,13,15).
What are the key properties of 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide?
2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide has a molecular weight of 212.22 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 119301146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).