N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide

C16H15F2NO2 — CID 78806063

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(O)cc1)c1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO2/c1-10(14-7-4-12(17)9-15(14)18)19-16(21)8-11-2-5-13(20)6-3-11/h2-7,9-10,20H,8H2,1H3,(H,19,21)
InChIKeyJZGSDJOGXUZLLR-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.09
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide

N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 78806063) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
PubChem CID78806063
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(O)cc1)c1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO2/c1-10(14-7-4-12(17)9-15(14)18)19-16(21)8-11-2-5-13(20)6-3-11/h2-7,9-10,20H,8H2,1H3,(H,19,21)
InChIKeyJZGSDJOGXUZLLR-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 177351939
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7477760
3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 43035582
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
N-[1-(2,4-difluorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806064
N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51150393
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 1225838
N-[1-(2,4-difluorophenyl)ethyl]-2-propan-2-ylsulfonylacetamide
CID 87023939
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide (CID 78806063) is N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide is CC(NC(=O)Cc1ccc(O)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is JZGSDJOGXUZLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-10(14-7-4-12(17)9-15(14)18)19-16(21)8-11-2-5-13(20)6-3-11/h2-7,9-10,20H,8H2,1H3,(H,19,21).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 291.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 78806063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).