N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide

C16H15F2NO2 — CID 8782142

IUPACN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
SMILESC[C@H](NC(=O)COc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO2/c1-11(14-8-7-12(17)9-15(14)18)19-16(20)10-21-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyBGYUANKESMXFKO-NSHDSACASA-N
MW291.30 g/mol
LogP3.22
Rot. Bonds5

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide (PubChem CID 8782142) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
PubChem CID8782142
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
SMILESC[C@H](NC(=O)COc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO2/c1-11(14-8-7-12(17)9-15(14)18)19-16(20)10-21-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyBGYUANKESMXFKO-NSHDSACASA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791391
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7514907
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 9429421
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 17425695
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 7503595
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
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9231979
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxybenzoate
CID 7484632
2-(4-fluorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144558
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8586909
2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402629

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide (CID 8782142) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide is C[C@H](NC(=O)COc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide?
The InChIKey is BGYUANKESMXFKO-NSHDSACASA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-11(14-8-7-12(17)9-15(14)18)19-16(20)10-21-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide?
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide has a molecular weight of 291.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 8782142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).