4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide

C26H24F2INO3 — CID 58146047

IUPAC4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide
SMILESNC(=O)c1c(Cc2ccc(I)cc2F)cc(F)cc1OCCCCC(=O)Cc1ccccc1
InChIInChI=1S/C26H24F2INO3/c27-20-14-19(13-18-9-10-21(29)16-23(18)28)25(26(30)32)24(15-20)33-11-5-4-8-22(31)12-17-6-2-1-3-7-17/h1-3,6-7,9-10,14-16H,4-5,8,11-13H2,(H2,30,32)
InChIKeyJCOLCHCOOUXGQK-UHFFFAOYSA-N
MW563.38 g/mol
LogP5.62
Rot. Bonds11

About 4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide

4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide (PubChem CID 58146047) has the molecular formula C26H24F2INO3 and a molecular weight of 563.38 g/mol. Its IUPAC name is 4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide.

Molecular Properties

Compound Name4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide
PubChem CID58146047
Molecular FormulaC26H24F2INO3
Molecular Weight563.38 g/mol
Exact Mass563.08
IUPAC Name4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide
SMILESNC(=O)c1c(Cc2ccc(I)cc2F)cc(F)cc1OCCCCC(=O)Cc1ccccc1
InChIInChI=1S/C26H24F2INO3/c27-20-14-19(13-18-9-10-21(29)16-23(18)28)25(26(30)32)24(15-20)33-11-5-4-8-22(31)12-17-6-2-1-3-7-17/h1-3,6-7,9-10,14-16H,4-5,8,11-13H2,(H2,30,32)
InChIKeyJCOLCHCOOUXGQK-UHFFFAOYSA-N
XLogP5.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.38
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)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

[(2R)-4-[2-carbamoyl-5-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]phenoxy]-2-hydroxybutyl] methanesulfonate
CID 58145904
4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide
CID 58145897
4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(pyrrolidin-3-ylmethoxy)benzamide
CID 58196953
2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide
CID 58196893
2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide
CID 58146028
4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-[3-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]phenoxy]benzamide
CID 58146030
tert-butyl (2S)-2-[[2-carbamoyl-5-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 58145941
6-amino-1-phenylhexan-2-one
CID 57063081
tert-butyl 2-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzoate
CID 58146034
3-chloro-6-[(3R)-3,4-dihydroxybutoxy]-2-[(2-fluoro-4-iodophenyl)methyl]benzamide
CID 58196956
2-[[3-(ethylsulfonylamino)phenyl]methoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 46195696
1-(4-fluorophenyl)-5-phenylpentan-2-one
CID 61079516

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide?
The IUPAC name of 4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide (CID 58146047) is 4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide.
What is the SMILES notation for 4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide?
The canonical SMILES for 4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide is NC(=O)c1c(Cc2ccc(I)cc2F)cc(F)cc1OCCCCC(=O)Cc1ccccc1.
What is the InChIKey of 4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide?
The InChIKey is JCOLCHCOOUXGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2INO3/c27-20-14-19(13-18-9-10-21(29)16-23(18)28)25(26(30)32)24(15-20)33-11-5-4-8-22(31)12-17-6-2-1-3-7-17/h1-3,6-7,9-10,14-16H,4-5,8,11-13H2,(H2,30,32).
What are the key properties of 4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide?
4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide has a molecular weight of 563.38 g/mol, XLogP of 5.62, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide is sourced from PubChem (CID 58146047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).