2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide

C11H15FN2O2 — CID 82977734

IUPAC2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide
SMILESCC(c1ccc(F)cc1O)N(C)CC(N)=O
InChIInChI=1S/C11H15FN2O2/c1-7(14(2)6-11(13)16)9-4-3-8(12)5-10(9)15/h3-5,7,15H,6H2,1-2H3,(H2,13,16)
InChIKeyRAEUAXGTTYXRPD-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.01
Rot. Bonds4

About 2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide

2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide (PubChem CID 82977734) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide
PubChem CID82977734
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide
SMILESCC(c1ccc(F)cc1O)N(C)CC(N)=O
InChIInChI=1S/C11H15FN2O2/c1-7(14(2)6-11(13)16)9-4-3-8(12)5-10(9)15/h3-5,7,15H,6H2,1-2H3,(H2,13,16)
InChIKeyRAEUAXGTTYXRPD-UHFFFAOYSA-N
XLogP1.01
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide
CID 82979371
2-[1-[butan-2-yl(methyl)amino]ethyl]-5-fluorophenol
CID 82977411
3-[1-(4-fluoro-2-hydroxyphenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65058577
2-[1-[bis(3-methylbutyl)amino]ethyl]-5-fluorophenol
CID 107871890
ethyl 2-[[(1R)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetate
CID 94417360
methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate
CID 57447177
2-[1-(dibutylamino)ethyl]-5-fluorophenol
CID 82974153
2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide
CID 82980145
3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867767
5-fluoro-2-[1-(4-methoxy-N-methylanilino)ethyl]phenol
CID 82978158
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide
CID 60503075
2-[1-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-5-fluorophenol
CID 82981552

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide?
The IUPAC name of 2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide (CID 82977734) is 2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide.
What is the SMILES notation for 2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide?
The canonical SMILES for 2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide is CC(c1ccc(F)cc1O)N(C)CC(N)=O.
What is the InChIKey of 2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide?
The InChIKey is RAEUAXGTTYXRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(14(2)6-11(13)16)9-4-3-8(12)5-10(9)15/h3-5,7,15H,6H2,1-2H3,(H2,13,16).
What are the key properties of 2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide?
2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide has a molecular weight of 226.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide is sourced from PubChem (CID 82977734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).