N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide

C17H16F3NO2 — CID 111451334

IUPACN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide
SMILESCC(C(=O)NCC(O)c1c(F)cccc1F)c1ccccc1F
InChIInChI=1S/C17H16F3NO2/c1-10(11-5-2-3-6-12(11)18)17(23)21-9-15(22)16-13(19)7-4-8-14(16)20/h2-8,10,15,22H,9H2,1H3,(H,21,23)
InChIKeyURDBBHZRISOFSH-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.06
Rot. Bonds5

About N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide (PubChem CID 111451334) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide
PubChem CID111451334
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide
SMILESCC(C(=O)NCC(O)c1c(F)cccc1F)c1ccccc1F
InChIInChI=1S/C17H16F3NO2/c1-10(11-5-2-3-6-12(11)18)17(23)21-9-15(22)16-13(19)7-4-8-14(16)20/h2-8,10,15,22H,9H2,1H3,(H,21,23)
InChIKeyURDBBHZRISOFSH-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide
CID 111478283
2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide
CID 111110453
2-but-3-enoxy-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide
CID 111451404
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
3-(3-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 109478347
1-[(2S)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
CID 95775482
3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea
CID 100657823
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 111452505
N-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide
CID 167843396
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide (CID 111451334) is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide is CC(C(=O)NCC(O)c1c(F)cccc1F)c1ccccc1F.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide?
The InChIKey is URDBBHZRISOFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-10(11-5-2-3-6-12(11)18)17(23)21-9-15(22)16-13(19)7-4-8-14(16)20/h2-8,10,15,22H,9H2,1H3,(H,21,23).
What are the key properties of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide?
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide has a molecular weight of 323.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide is sourced from PubChem (CID 111451334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).