2,6-difluoro-N-(3-hydroxypropyl)benzamide

C10H11F2NO2 — CID 5203738

IUPAC2,6-difluoro-N-(3-hydroxypropyl)benzamide
SMILESO=C(NCCCO)c1c(F)cccc1F
InChIInChI=1S/C10H11F2NO2/c11-7-3-1-4-8(12)9(7)10(15)13-5-2-6-14/h1,3-4,14H,2,5-6H2,(H,13,15)
InChIKeyYQNSEBCRIUUJND-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.08
Rot. Bonds4

About 2,6-difluoro-N-(3-hydroxypropyl)benzamide

2,6-difluoro-N-(3-hydroxypropyl)benzamide (PubChem CID 5203738) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-hydroxypropyl)benzamide
PubChem CID5203738
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2,6-difluoro-N-(3-hydroxypropyl)benzamide
SMILESO=C(NCCCO)c1c(F)cccc1F
InChIInChI=1S/C10H11F2NO2/c11-7-3-1-4-8(12)9(7)10(15)13-5-2-6-14/h1,3-4,14H,2,5-6H2,(H,13,15)
InChIKeyYQNSEBCRIUUJND-UHFFFAOYSA-N
XLogP1.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 97012243
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
N-(4-bromopentyl)-2,6-difluorobenzamide
CID 106130576
N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
2-bromo-3-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317884
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
CID 107013328
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
CID 104916525
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107321513
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
CID 114008519

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(3-hydroxypropyl)benzamide (CID 5203738) is 2,6-difluoro-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(3-hydroxypropyl)benzamide is O=C(NCCCO)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(3-hydroxypropyl)benzamide?
The InChIKey is YQNSEBCRIUUJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c11-7-3-1-4-8(12)9(7)10(15)13-5-2-6-14/h1,3-4,14H,2,5-6H2,(H,13,15).
What are the key properties of 2,6-difluoro-N-(3-hydroxypropyl)benzamide?
2,6-difluoro-N-(3-hydroxypropyl)benzamide has a molecular weight of 215.20 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 5203738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).