3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide

C11H13F2NO2 — CID 110902844

IUPAC3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCc1cc(F)ccc1F)NCCO
InChIInChI=1S/C11H13F2NO2/c12-9-2-3-10(13)8(7-9)1-4-11(16)14-5-6-15/h2-3,7,15H,1,4-6H2,(H,14,16)
InChIKeyAVJCDDYIVZWZJZ-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.01
Rot. Bonds5

About 3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide

3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide (PubChem CID 110902844) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide
PubChem CID110902844
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCc1cc(F)ccc1F)NCCO
InChIInChI=1S/C11H13F2NO2/c12-9-2-3-10(13)8(7-9)1-4-11(16)14-5-6-15/h2-3,7,15H,1,4-6H2,(H,14,16)
InChIKeyAVJCDDYIVZWZJZ-UHFFFAOYSA-N
XLogP1.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111573173
5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid
CID 119234208
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
2-amino-N-[2-(2,5-difluorophenyl)ethyl]acetamide
CID 82492756
3-(2,5-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 110922795
N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide
CID 115139327
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 71981439
3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide
CID 111429680
2-(5-chloro-2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 82475017
2-(2,5-difluorophenyl)ethylurea
CID 115168493

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide (CID 110902844) is 3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide is O=C(CCc1cc(F)ccc1F)NCCO.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is AVJCDDYIVZWZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c12-9-2-3-10(13)8(7-9)1-4-11(16)14-5-6-15/h2-3,7,15H,1,4-6H2,(H,14,16).
What are the key properties of 3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide?
3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 229.23 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 110902844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).