2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide

C14H20FNO3 — CID 103940009

IUPAC2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCCCNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C14H20FNO3/c1-10(2)9-19-7-3-6-16-14(18)12-5-4-11(17)8-13(12)15/h4-5,8,10,17H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyYPODJNHMQVUTAR-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.32
Rot. Bonds7

About 2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide

2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide (PubChem CID 103940009) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide
PubChem CID103940009
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCCCNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C14H20FNO3/c1-10(2)9-19-7-3-6-16-14(18)12-5-4-11(17)8-13(12)15/h4-5,8,10,17H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyYPODJNHMQVUTAR-UHFFFAOYSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103863566
2-fluoro-4-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 104929735
N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide
CID 114171329
2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 43363356
2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78849698
2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide
CID 79713860
N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide
CID 107847909
N-(3-cyclopentylpropyl)-2-fluoro-4-hydroxybenzamide
CID 103940047
4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
CID 24691532
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
CID 107676818
5-chloro-N-[3-(2-methylpropoxy)propyl]-2-nitrobenzamide
CID 60667505

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide (CID 103940009) is 2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide is CC(C)COCCCNC(=O)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide?
The InChIKey is YPODJNHMQVUTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-10(2)9-19-7-3-6-16-14(18)12-5-4-11(17)8-13(12)15/h4-5,8,10,17H,3,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of 2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide?
2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide has a molecular weight of 269.32 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide is sourced from PubChem (CID 103940009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).