4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide

C12H17FN2O2 — CID 107015821

IUPAC4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H17FN2O2/c1-2-5-14-6-7-15-12(17)10-4-3-9(13)8-11(10)16/h3-4,8,14,16H,2,5-7H2,1H3,(H,15,17)
InChIKeyNSASBESWNMVTNI-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.26
Rot. Bonds6

About 4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide

4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide (PubChem CID 107015821) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide
PubChem CID107015821
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H17FN2O2/c1-2-5-14-6-7-15-12(17)10-4-3-9(13)8-11(10)16/h3-4,8,14,16H,2,5-7H2,1H3,(H,15,17)
InChIKeyNSASBESWNMVTNI-UHFFFAOYSA-N
XLogP1.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]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

N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829628
N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 113304540
4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide
CID 113304549
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide
CID 62659198
4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
CID 103829717
4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide
CID 86814360
4-fluoro-2-hydroxy-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 102685154
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
CID 107012875
2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide
CID 55100965
4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 113304588

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide (CID 107015821) is 4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide is CCCNCCNC(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide?
The InChIKey is NSASBESWNMVTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-2-5-14-6-7-15-12(17)10-4-3-9(13)8-11(10)16/h3-4,8,14,16H,2,5-7H2,1H3,(H,15,17).
What are the key properties of 4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide?
4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide has a molecular weight of 240.28 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 107015821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).