2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide

C17H16F3NO3 — CID 109478476

IUPAC2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(F)(F)C(=O)NCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16F3NO3/c1-24-14-8-4-12(5-9-14)17(19,20)16(23)21-10-15(22)11-2-6-13(18)7-3-11/h2-9,15,22H,10H2,1H3,(H,21,23)
InChIKeyTVJUNTGPRXMHRV-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.78
Rot. Bonds6

About 2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide

2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 109478476) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID109478476
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(F)(F)C(=O)NCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16F3NO3/c1-24-14-8-4-12(5-9-14)17(19,20)16(23)21-10-15(22)11-2-6-13(18)7-3-11/h2-9,15,22H,10H2,1H3,(H,21,23)
InChIKeyTVJUNTGPRXMHRV-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 100764025
2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide
CID 109478693
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide
CID 109476466
2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 110889438
2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 55655578
4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 55655448
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide
CID 90534721
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834
1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 111102262

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of 2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide (CID 109478476) is 2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(C(F)(F)C(=O)NCC(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is TVJUNTGPRXMHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-24-14-8-4-12(5-9-14)17(19,20)16(23)21-10-15(22)11-2-6-13(18)7-3-11/h2-9,15,22H,10H2,1H3,(H,21,23).
What are the key properties of 2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide?
2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 339.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 109478476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).