N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide

C18H19F2NO2 — CID 110024335

IUPACN-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
SMILESCC(NC(=O)CC(C)(O)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C18H19F2NO2/c1-12(15-9-8-14(19)10-16(15)20)21-17(22)11-18(2,23)13-6-4-3-5-7-13/h3-10,12,23H,11H2,1-2H3,(H,21,22)
InChIKeyFLZUWKLBEQBSGR-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.44
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide

N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide (PubChem CID 110024335) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
PubChem CID110024335
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
SMILESCC(NC(=O)CC(C)(O)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C18H19F2NO2/c1-12(15-9-8-14(19)10-16(15)20)21-17(22)11-18(2,23)13-6-4-3-5-7-13/h3-10,12,23H,11H2,1-2H3,(H,21,22)
InChIKeyFLZUWKLBEQBSGR-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335690
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
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-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8596226
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142
N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide
CID 110026067
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7514907
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024305
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 31675054

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide (CID 110024335) is N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide is CC(NC(=O)CC(C)(O)c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is FLZUWKLBEQBSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-12(15-9-8-14(19)10-16(15)20)21-17(22)11-18(2,23)13-6-4-3-5-7-13/h3-10,12,23H,11H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide?
N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 319.35 g/mol, XLogP of 3.44, 5 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]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110024335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).