2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide

C17H18F2N2O3 — CID 56805403

IUPAC2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide
SMILESCOc1ccc(NC(C)c2c(F)cccc2F)cc1OCC(N)=O
InChIInChI=1S/C17H18F2N2O3/c1-10(17-12(18)4-3-5-13(17)19)21-11-6-7-14(23-2)15(8-11)24-9-16(20)22/h3-8,10,21H,9H2,1-2H3,(H2,20,22)
InChIKeyPXPYSIAHSZCAFR-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.01
Rot. Bonds7

About 2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide

2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide (PubChem CID 56805403) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide
PubChem CID56805403
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide
SMILESCOc1ccc(NC(C)c2c(F)cccc2F)cc1OCC(N)=O
InChIInChI=1S/C17H18F2N2O3/c1-10(17-12(18)4-3-5-13(17)19)21-11-6-7-14(23-2)15(8-11)24-9-16(20)22/h3-8,10,21H,9H2,1-2H3,(H2,20,22)
InChIKeyPXPYSIAHSZCAFR-UHFFFAOYSA-N
XLogP3.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
CID 95624444
2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
CID 95624450
2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide
CID 47065312
2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide
CID 60542358
5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methylbenzamide
CID 95624643
1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one
CID 99807501
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 115916765
2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide
CID 55914859
2-[2-(2-fluoro-6-methoxyphenyl)-4-methylphenoxy]acetamide
CID 56717628
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide
CID 55744161
2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 55413100

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide (CID 56805403) is 2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide is COc1ccc(NC(C)c2c(F)cccc2F)cc1OCC(N)=O.
What is the InChIKey of 2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide?
The InChIKey is PXPYSIAHSZCAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-10(17-12(18)4-3-5-13(17)19)21-11-6-7-14(23-2)15(8-11)24-9-16(20)22/h3-8,10,21H,9H2,1-2H3,(H2,20,22).
What are the key properties of 2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide?
2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide has a molecular weight of 336.34 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 56805403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).