N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide

C21H26FNO2 — CID 68871257

IUPACN-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide
SMILESCCCCCCN(Cc1ccccc1)C(=O)Cc1ccc(O)c(F)c1
InChIInChI=1S/C21H26FNO2/c1-2-3-4-8-13-23(16-17-9-6-5-7-10-17)21(25)15-18-11-12-20(24)19(22)14-18/h5-7,9-12,14,24H,2-4,8,13,15-16H2,1H3
InChIKeyJTNYVJPEEKOFDR-UHFFFAOYSA-N
MW343.44 g/mol
LogP4.68
Rot. Bonds9

About N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide

N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide (PubChem CID 68871257) has the molecular formula C21H26FNO2 and a molecular weight of 343.44 g/mol. Its IUPAC name is N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide
PubChem CID68871257
Molecular FormulaC21H26FNO2
Molecular Weight343.44 g/mol
Exact Mass343.19
IUPAC NameN-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide
SMILESCCCCCCN(Cc1ccccc1)C(=O)Cc1ccc(O)c(F)c1
InChIInChI=1S/C21H26FNO2/c1-2-3-4-8-13-23(16-17-9-6-5-7-10-17)21(25)15-18-11-12-20(24)19(22)14-18/h5-7,9-12,14,24H,2-4,8,13,15-16H2,1H3
InChIKeyJTNYVJPEEKOFDR-UHFFFAOYSA-N
XLogP4.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide 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-benzyl-2-bromo-N-hexylacetamide
CID 68872277
N-benzyl-2-(dimethylamino)-N-dodecylacetamide
CID 172759301
N-benzyl-N-butylpropanamide
CID 12502571
2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride
CID 119270984
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
3-[pentyl-(2-phenylacetyl)amino]propanoic acid
CID 82325109
2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide
CID 88959314
3-(4-benzylsulfanylphenyl)-N-[(2,4-difluorophenyl)methyl]-N-heptylpropanamide
CID 141083050
N-benzyl-N-dodecyl-2-methylprop-2-enamide
CID 141486609
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-2-phenylacetamide
CID 42764328
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
N-benzyl-N-pentylprop-2-enamide
CID 176825792

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide?
The IUPAC name of N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide (CID 68871257) is N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide.
What is the SMILES notation for N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide?
The canonical SMILES for N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide is CCCCCCN(Cc1ccccc1)C(=O)Cc1ccc(O)c(F)c1.
What is the InChIKey of N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide?
The InChIKey is JTNYVJPEEKOFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO2/c1-2-3-4-8-13-23(16-17-9-6-5-7-10-17)21(25)15-18-11-12-20(24)19(22)14-18/h5-7,9-12,14,24H,2-4,8,13,15-16H2,1H3.
What are the key properties of N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide?
N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide has a molecular weight of 343.44 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide is sourced from PubChem (CID 68871257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).