N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide

C16H15F2NO2 — CID 110879965

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
SMILESCC(NC(=O)C(O)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO2/c1-10(13-8-7-12(17)9-14(13)18)19-16(21)15(20)11-5-3-2-4-6-11/h2-10,15,20H,1H3,(H,19,21)
InChIKeyVBOQUWUPQPLANU-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.88
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide

N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide (PubChem CID 110879965) 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-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
PubChem CID110879965
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
SMILESCC(NC(=O)C(O)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO2/c1-10(13-8-7-12(17)9-14(13)18)19-16(21)15(20)11-5-3-2-4-6-11/h2-10,15,20H,1H3,(H,19,21)
InChIKeyVBOQUWUPQPLANU-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2,4-difluorophenyl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496981
2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8596226
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 43702013
(2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 39927724
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
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
N-[1-[1-(2,4-difluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 51150373
(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
CID 119269517
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-hydroxy-2-phenylacetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide (CID 110879965) is N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide is CC(NC(=O)C(O)c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is VBOQUWUPQPLANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-10(13-8-7-12(17)9-14(13)18)19-16(21)15(20)11-5-3-2-4-6-11/h2-10,15,20H,1H3,(H,19,21).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 291.30 g/mol, XLogP of 2.88, 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-hydroxy-2-phenylacetamide is sourced from PubChem (CID 110879965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).