N-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide

C21H17F2NO2 — CID 2888754

IUPACN-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide
SMILESO=C(NCc1ccccc1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H17F2NO2/c22-18-10-6-16(7-11-18)21(26,17-8-12-19(23)13-9-17)20(25)24-14-15-4-2-1-3-5-15/h1-13,26H,14H2,(H,24,25)
InChIKeyRCOQRTIHXWCYLE-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.52
Rot. Bonds5

About N-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide

N-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide (PubChem CID 2888754) has the molecular formula C21H17F2NO2 and a molecular weight of 353.37 g/mol. Its IUPAC name is N-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide
PubChem CID2888754
Molecular FormulaC21H17F2NO2
Molecular Weight353.37 g/mol
Exact Mass353.12
IUPAC NameN-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide
SMILESO=C(NCc1ccccc1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H17F2NO2/c22-18-10-6-16(7-11-18)21(26,17-8-12-19(23)13-9-17)20(25)24-14-15-4-2-1-3-5-15/h1-13,26H,14H2,(H,24,25)
InChIKeyRCOQRTIHXWCYLE-UHFFFAOYSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-methyl-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10503358
2'-(2-Fluoro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431342
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 16285319
N-ethyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide
CID 1050416
N'-[bis(4-fluorophenyl)(hydroxy)acetyl]-N-ethylbenzohydrazide
CID 1918140
2-(3,3-Difluoro-cyclopentyl)-N-[1-(3-fluoro-benzyl)-piperidin-4-yl]-2-hydroxy-2-phenyl-acetamide
CID 10551354
N-(1-Benzyl-piperidin-4-yl)-2-(3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 10812455
4-(2-Aminoethylidene)-1-{(2R)-2-((1R)-3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetyl}piperidine
CID 44308832
N-benzyl-2-hydroxy-N',N'-dimethyl-2,2-diphenylacetohydrazide
CID 2213647
Ammonium, (2-(benziloylamino)ethyl)diethylmethyl-, iodide
CID 59252
2-[(2-Fluorobenzyl)amino]-1,1-bis(4-fluorophenyl)-1-ethanol
CID 3671703
1,1-Bis(4-fluorophenyl)-2-[(4-methylbenzyl)amino]-1-ethanol
CID 3751170

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide?
The IUPAC name of N-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide (CID 2888754) is N-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide.
What is the SMILES notation for N-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide?
The canonical SMILES for N-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide is O=C(NCc1ccccc1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide?
The InChIKey is RCOQRTIHXWCYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO2/c22-18-10-6-16(7-11-18)21(26,17-8-12-19(23)13-9-17)20(25)24-14-15-4-2-1-3-5-15/h1-13,26H,14H2,(H,24,25).
What are the key properties of N-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide?
N-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide has a molecular weight of 353.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide is sourced from PubChem (CID 2888754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).