3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide

C16H24FNO2 — CID 175536796

IUPAC3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide
SMILESCCCCCCCCN(C)C(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C16H24FNO2/c1-3-4-5-6-7-8-11-18(2)16(20)13-9-10-15(19)14(17)12-13/h9-10,12,19H,3-8,11H2,1-2H3
InChIKeyGJOJQTYQPZKBDC-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.96
Rot. Bonds8

About 3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide

3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide (PubChem CID 175536796) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide
PubChem CID175536796
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide
SMILESCCCCCCCCN(C)C(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C16H24FNO2/c1-3-4-5-6-7-8-11-18(2)16(20)13-9-10-15(19)14(17)12-13/h9-10,12,19H,3-8,11H2,1-2H3
InChIKeyGJOJQTYQPZKBDC-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide 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

4-amino-N,3-dimethyl-N-pentylbenzamide
CID 43294398
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
3-amino-4-bromo-N-methyl-N-pentylbenzamide
CID 61093599
N-butyl-4-fluoro-N-methyl-3-nitrobenzamide
CID 43244068
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300854
1-N,4-N-bis[2-[ethyl(nonyl)amino]ethyl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 139952652
1-N,4-N-bis[2-[ethyl(heptyl)amino]ethyl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 139953556
4-bromo-3-fluoro-N,N-dipentylbenzamide
CID 63524944
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
CID 55228481
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide?
The IUPAC name of 3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide (CID 175536796) is 3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide.
What is the SMILES notation for 3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide?
The canonical SMILES for 3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide is CCCCCCCCN(C)C(=O)c1ccc(O)c(F)c1.
What is the InChIKey of 3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide?
The InChIKey is GJOJQTYQPZKBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-4-5-6-7-8-11-18(2)16(20)13-9-10-15(19)14(17)12-13/h9-10,12,19H,3-8,11H2,1-2H3.
What are the key properties of 3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide?
3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide has a molecular weight of 281.37 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide is sourced from PubChem (CID 175536796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).