2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide

C12H16F2N2O2 — CID 82978666

IUPAC2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-3-15-11(17)7-16(2)6-8-4-9(13)12(18)10(14)5-8/h4-5,18H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyPGECKXNVSGUREX-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.24
Rot. Bonds5

About 2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide

2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide (PubChem CID 82978666) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide
PubChem CID82978666
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-3-15-11(17)7-16(2)6-8-4-9(13)12(18)10(14)5-8/h4-5,18H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyPGECKXNVSGUREX-UHFFFAOYSA-N
XLogP1.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide
CID 112616212
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-ethylacetamide
CID 114011952
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide
CID 8540987
N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide
CID 54980999
2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide
CID 79582319
4-[(dimethylamino)methyl]-2,6-difluorophenol
CID 82977010
N-ethyl-2-[ethyl(methyl)amino]acetamide;hydrochloride
CID 130736747
2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-ethylacetamide
CID 104643530
2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide
CID 114088970
2-[(3-fluoro-4-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 107694011
3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103887363

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide (CID 82978666) is 2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)Cc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide?
The InChIKey is PGECKXNVSGUREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-3-15-11(17)7-16(2)6-8-4-9(13)12(18)10(14)5-8/h4-5,18H,3,6-7H2,1-2H3,(H,15,17).
What are the key properties of 2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide?
2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide has a molecular weight of 258.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 82978666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).