N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide

C14H20FNO3 — CID 103829628

IUPACN-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide
SMILESCCCCOCCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C14H20FNO3/c1-2-3-8-19-9-4-7-16-14(18)12-6-5-11(15)10-13(12)17/h5-6,10,17H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyOPNUGAAKJLNFRR-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.47
Rot. Bonds8

About N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide

N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide (PubChem CID 103829628) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide
PubChem CID103829628
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC NameN-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide
SMILESCCCCOCCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C14H20FNO3/c1-2-3-8-19-9-4-7-16-14(18)12-6-5-11(15)10-13(12)17/h5-6,10,17H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyOPNUGAAKJLNFRR-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.47
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

N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
4-fluoro-2-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 103829912
N-[3-(2-chloroethoxy)propyl]-4-fluoro-2-hydroxybenzamide
CID 106307111
2-hydroxy-4-methoxy-N-(3-propoxypropyl)benzamide
CID 82943037
4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107015821
2-hydroxy-4-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 103604676
4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
CID 103829717
4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide
CID 86814360
2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 60668712
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
CID 107012875
4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 113304588

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide (CID 103829628) is N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide is CCCCOCCCNC(=O)c1ccc(F)cc1O.
What is the InChIKey of N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide?
The InChIKey is OPNUGAAKJLNFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-2-3-8-19-9-4-7-16-14(18)12-6-5-11(15)10-13(12)17/h5-6,10,17H,2-4,7-9H2,1H3,(H,16,18).
What are the key properties of N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide?
N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide has a molecular weight of 269.32 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 103829628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).