2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide

C18H18FIN2O3 — CID 2185653

IUPAC2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide
SMILESO=C(Nc1ccc(I)cc1C(=O)NCCCCO)c1ccc(F)cc1
InChIInChI=1S/C18H18FIN2O3/c19-13-5-3-12(4-6-13)17(24)22-16-8-7-14(20)11-15(16)18(25)21-9-1-2-10-23/h3-8,11,23H,1-2,9-10H2,(H,21,25)(H,22,24)
InChIKeyWJRRORAODTVFLP-UHFFFAOYSA-N
MW456.26 g/mol
LogP3.18
Rot. Bonds7

About 2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide

2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide (PubChem CID 2185653) has the molecular formula C18H18FIN2O3 and a molecular weight of 456.26 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide
PubChem CID2185653
Molecular FormulaC18H18FIN2O3
Molecular Weight456.26 g/mol
Exact Mass456.03
IUPAC Name2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide
SMILESO=C(Nc1ccc(I)cc1C(=O)NCCCCO)c1ccc(F)cc1
InChIInChI=1S/C18H18FIN2O3/c19-13-5-3-12(4-6-13)17(24)22-16-8-7-14(20)11-15(16)18(25)21-9-1-2-10-23/h3-8,11,23H,1-2,9-10H2,(H,21,25)(H,22,24)
InChIKeyWJRRORAODTVFLP-UHFFFAOYSA-N
XLogP3.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.26
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide (CID 2185653) is 2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide is O=C(Nc1ccc(I)cc1C(=O)NCCCCO)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide?
The InChIKey is WJRRORAODTVFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FIN2O3/c19-13-5-3-12(4-6-13)17(24)22-16-8-7-14(20)11-15(16)18(25)21-9-1-2-10-23/h3-8,11,23H,1-2,9-10H2,(H,21,25)(H,22,24).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide?
2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide has a molecular weight of 456.26 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-N-(4-hydroxybutyl)-5-iodobenzamide is sourced from PubChem (CID 2185653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).