N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide

C12H17FN2O2 — CID 112616212

IUPACN-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide
SMILESCCNC(=O)CN(C)Cc1cccc(F)c1O
InChIInChI=1S/C12H17FN2O2/c1-3-14-11(16)8-15(2)7-9-5-4-6-10(13)12(9)17/h4-6,17H,3,7-8H2,1-2H3,(H,14,16)
InChIKeyZYCNHABINYYQLP-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.10
Rot. Bonds5

About N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide

N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide (PubChem CID 112616212) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide
PubChem CID112616212
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide
SMILESCCNC(=O)CN(C)Cc1cccc(F)c1O
InChIInChI=1S/C12H17FN2O2/c1-3-14-11(16)8-15(2)7-9-5-4-6-10(13)12(9)17/h4-6,17H,3,7-8H2,1-2H3,(H,14,16)
InChIKeyZYCNHABINYYQLP-UHFFFAOYSA-N
XLogP1.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.10
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

N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide
CID 82978666
N-ethyl-2-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]acetamide
CID 62036688
2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
CID 43458547
2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide
CID 79582319
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
CID 107113242
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-ethylacetamide
CID 114011952
N-(2-cyanoethyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18124298
2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide
CID 54986511
N-ethyl-2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]acetamide
CID 107352926
2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986439
2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
CID 112616193

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide (CID 112616212) is N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide is CCNC(=O)CN(C)Cc1cccc(F)c1O.
What is the InChIKey of N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide?
The InChIKey is ZYCNHABINYYQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-3-14-11(16)8-15(2)7-9-5-4-6-10(13)12(9)17/h4-6,17H,3,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide?
N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide has a molecular weight of 240.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 112616212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).