2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide

C18H18F2N2O3 — CID 111451423

IUPAC2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCC(O)c2c(F)cccc2F)cc1
InChIInChI=1S/C18H18F2N2O3/c1-11(23)22-13-7-5-12(6-8-13)9-17(25)21-10-16(24)18-14(19)3-2-4-15(18)20/h2-8,16,24H,9-10H2,1H3,(H,21,25)(H,22,23)
InChIKeyJTKNRUYUZCOWEG-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.32
Rot. Bonds6

About 2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide

2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide (PubChem CID 111451423) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
PubChem CID111451423
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCC(O)c2c(F)cccc2F)cc1
InChIInChI=1S/C18H18F2N2O3/c1-11(23)22-13-7-5-12(6-8-13)9-17(25)21-10-16(24)18-14(19)3-2-4-15(18)20/h2-8,16,24H,9-10H2,1H3,(H,21,25)(H,22,23)
InChIKeyJTKNRUYUZCOWEG-UHFFFAOYSA-N
XLogP2.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide
CID 71848986
2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide
CID 96542842
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide
CID 75512350
2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide
CID 108792637
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide
CID 111451226
2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 9263287
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 111451310
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea
CID 111453013

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide (CID 111451423) is 2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide is CC(=O)Nc1ccc(CC(=O)NCC(O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide?
The InChIKey is JTKNRUYUZCOWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-11(23)22-13-7-5-12(6-8-13)9-17(25)21-10-16(24)18-14(19)3-2-4-15(18)20/h2-8,16,24H,9-10H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide?
2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide has a molecular weight of 348.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 111451423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).