N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide

C12H15F2NO2 — CID 62295850

IUPACN-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO2/c1-2-17-8-12(16)15-4-3-9-5-10(13)7-11(14)6-9/h5-7H,2-4,8H2,1H3,(H,15,16)
InChIKeyUWLSAEIHWVNIMS-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.66
Rot. Bonds6

About N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide

N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide (PubChem CID 62295850) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide
PubChem CID62295850
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO2/c1-2-17-8-12(16)15-4-3-9-5-10(13)7-11(14)6-9/h5-7H,2-4,8H2,1H3,(H,15,16)
InChIKeyUWLSAEIHWVNIMS-UHFFFAOYSA-N
XLogP1.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(3,5-difluorophenyl)ethylamino]-2-oxoacetate
CID 112617153
N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 51101643
1-(3,5-difluorophenyl)-3-ethoxypropan-2-one
CID 79566603
3-[2-[(2-ethoxyacetyl)amino]ethyl]benzoic acid
CID 63795816
N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79271793
4-amino-N-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide
CID 81079820
N-[2-(3,5-difluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430826
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 51101630
(2S)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 62614363
1-[2-(3,5-difluorophenyl)ethyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405629
2-ethoxy-N-(3-hydroxypropyl)acetamide
CID 43419254

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide (CID 62295850) is N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide is CCOCC(=O)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide?
The InChIKey is UWLSAEIHWVNIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-2-17-8-12(16)15-4-3-9-5-10(13)7-11(14)6-9/h5-7H,2-4,8H2,1H3,(H,15,16).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide?
N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide has a molecular weight of 243.25 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide is sourced from PubChem (CID 62295850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).