N-(2,5-difluorophenyl)-3-hydroxypropanamide

C9H9F2NO2 — CID 68503422

IUPACN-(2,5-difluorophenyl)-3-hydroxypropanamide
SMILESO=C(CCO)Nc1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO2/c10-6-1-2-7(11)8(5-6)12-9(14)3-4-13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyAEYKFAPXFNUHOW-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.29
Rot. Bonds3

About N-(2,5-difluorophenyl)-3-hydroxypropanamide

N-(2,5-difluorophenyl)-3-hydroxypropanamide (PubChem CID 68503422) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-hydroxypropanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-hydroxypropanamide
PubChem CID68503422
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC NameN-(2,5-difluorophenyl)-3-hydroxypropanamide
SMILESO=C(CCO)Nc1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO2/c10-6-1-2-7(11)8(5-6)12-9(14)3-4-13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyAEYKFAPXFNUHOW-UHFFFAOYSA-N
XLogP1.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide
CID 115138756
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
5-bromo-N-(2,5-difluorophenyl)pentanamide
CID 103601723
N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60642566
N-(5-chloro-2-fluorophenyl)-5-hydroxypentanamide
CID 79199616
4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
CID 134059340
N-(2-bromo-5-fluorophenyl)-4-hydroxybutanamide
CID 107638337
3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide
CID 41484985
2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 43467290
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
N-[4-(2,5-difluoroanilino)-4-oxobutyl]benzamide
CID 39753880
4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide
CID 26360943

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-hydroxypropanamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-hydroxypropanamide (CID 68503422) is N-(2,5-difluorophenyl)-3-hydroxypropanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-hydroxypropanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-hydroxypropanamide is O=C(CCO)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-3-hydroxypropanamide?
The InChIKey is AEYKFAPXFNUHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-6-1-2-7(11)8(5-6)12-9(14)3-4-13/h1-2,5,13H,3-4H2,(H,12,14).
What are the key properties of N-(2,5-difluorophenyl)-3-hydroxypropanamide?
N-(2,5-difluorophenyl)-3-hydroxypropanamide has a molecular weight of 201.17 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-hydroxypropanamide is sourced from PubChem (CID 68503422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).