3,4-difluoro-N-(2-hydroxyethoxy)benzamide

C9H9F2NO3 — CID 142266276

IUPAC3,4-difluoro-N-(2-hydroxyethoxy)benzamide
SMILESO=C(NOCCO)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NO3/c10-7-2-1-6(5-8(7)11)9(14)12-15-4-3-13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyZQQGOGHEGGTTIK-UHFFFAOYSA-N
MW217.17 g/mol
LogP0.62
Rot. Bonds4

About 3,4-difluoro-N-(2-hydroxyethoxy)benzamide

3,4-difluoro-N-(2-hydroxyethoxy)benzamide (PubChem CID 142266276) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-hydroxyethoxy)benzamide
PubChem CID142266276
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name3,4-difluoro-N-(2-hydroxyethoxy)benzamide
SMILESO=C(NOCCO)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NO3/c10-7-2-1-6(5-8(7)11)9(14)12-15-4-3-13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyZQQGOGHEGGTTIK-UHFFFAOYSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,4-difluoro-N-(2-hydroxyethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline
CID 142266275
3,4-difluoro-N-(2-hydroxypropoxy)benzamide
CID 87738823
3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79672875
methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate
CID 9277581
7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
CID 154071676
3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
CID 114078926
3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81435190
2-[(3,4-difluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242712
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
N-(1-cyanoethyl)-3,4-difluorobenzamide
CID 61119063
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-hydroxyethoxy)benzamide?
The IUPAC name of 3,4-difluoro-N-(2-hydroxyethoxy)benzamide (CID 142266276) is 3,4-difluoro-N-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(2-hydroxyethoxy)benzamide?
The canonical SMILES for 3,4-difluoro-N-(2-hydroxyethoxy)benzamide is O=C(NOCCO)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-hydroxyethoxy)benzamide?
The InChIKey is ZQQGOGHEGGTTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c10-7-2-1-6(5-8(7)11)9(14)12-15-4-3-13/h1-2,5,13H,3-4H2,(H,12,14).
What are the key properties of 3,4-difluoro-N-(2-hydroxyethoxy)benzamide?
3,4-difluoro-N-(2-hydroxyethoxy)benzamide has a molecular weight of 217.17 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 142266276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).