N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide

C13H18F2N2O2 — CID 119722593

IUPACN-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCCc1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O2/c1-19-8-7-16-9-13(18)17-6-5-10-11(14)3-2-4-12(10)15/h2-4,16H,5-9H2,1H3,(H,17,18)
InChIKeyQEHOIYUALSXGPG-UHFFFAOYSA-N
MW272.29 g/mol
LogP0.86
Rot. Bonds8

About N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide

N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 119722593) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
PubChem CID119722593
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC NameN-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCCc1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O2/c1-19-8-7-16-9-13(18)17-6-5-10-11(14)3-2-4-12(10)15/h2-4,16H,5-9H2,1H3,(H,17,18)
InChIKeyQEHOIYUALSXGPG-UHFFFAOYSA-N
XLogP0.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47329826
2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112683507
1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114935457
2-(2-methoxyethylamino)-N-(2-naphthalen-1-ylethyl)acetamide
CID 119722532
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774859
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687947
2-(2,3-difluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]acetamide
CID 82994529
3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide
CID 119802987
N-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 60547662
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119767630
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide
CID 119802905

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide (CID 119722593) is N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NCCc1c(F)cccc1F.
What is the InChIKey of N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is QEHOIYUALSXGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-19-8-7-16-9-13(18)17-6-5-10-11(14)3-2-4-12(10)15/h2-4,16H,5-9H2,1H3,(H,17,18).
What are the key properties of N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide?
N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 272.29 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119722593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).