N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide

C13H19FN2O2 — CID 107685979

IUPACN,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide
SMILESCCN(CC)C(=O)CNCc1ccc(O)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-3-16(4-2)13(18)9-15-8-10-5-6-12(17)11(14)7-10/h5-7,15,17H,3-4,8-9H2,1-2H3
InChIKeyMUWYDTQLEVOIBJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.49
Rot. Bonds6

About N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide

N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide (PubChem CID 107685979) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide
PubChem CID107685979
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC NameN,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide
SMILESCCN(CC)C(=O)CNCc1ccc(O)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-3-16(4-2)13(18)9-15-8-10-5-6-12(17)11(14)7-10/h5-7,15,17H,3-4,8-9H2,1-2H3
InChIKeyMUWYDTQLEVOIBJ-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[(4-fluorophenyl)methylamino]acetamide
CID 28581599
2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide
CID 115767711
2-(benzylamino)-N,N-diethylacetamide
CID 10857021
2-[(3,5-dimethylphenyl)methylamino]-N,N-diethylacetamide
CID 112687465
N,N-diethyl-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582548
N,N-diethyl-2-[(3-methoxyphenyl)methylamino]acetamide
CID 60690684
4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol
CID 107685688
3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 112688808
3-[(3,4-difluorophenyl)methyl]-1,1-diethylurea
CID 115593148
5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide
CID 114161742
N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide
CID 112688384
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone
CID 107685980

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide (CID 107685979) is N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide is CCN(CC)C(=O)CNCc1ccc(O)c(F)c1.
What is the InChIKey of N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide?
The InChIKey is MUWYDTQLEVOIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-16(4-2)13(18)9-15-8-10-5-6-12(17)11(14)7-10/h5-7,15,17H,3-4,8-9H2,1-2H3.
What are the key properties of N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide?
N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide has a molecular weight of 254.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide is sourced from PubChem (CID 107685979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).