N-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide

C15H11F2IN2O2 — CID 55741246

IUPACN-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)c2ccc(F)cc2I)c1
InChIInChI=1S/C15H11F2IN2O2/c1-8(21)19-10-3-5-12(17)14(7-10)20-15(22)11-4-2-9(16)6-13(11)18/h2-7H,1H3,(H,19,21)(H,20,22)
InChIKeyJFHBWWQVDHDJAZ-UHFFFAOYSA-N
MW416.17 g/mol
LogP3.78
Rot. Bonds3

About N-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide

N-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide (PubChem CID 55741246) has the molecular formula C15H11F2IN2O2 and a molecular weight of 416.17 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide
PubChem CID55741246
Molecular FormulaC15H11F2IN2O2
Molecular Weight416.17 g/mol
Exact Mass415.98
IUPAC NameN-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)c2ccc(F)cc2I)c1
InChIInChI=1S/C15H11F2IN2O2/c1-8(21)19-10-3-5-12(17)14(7-10)20-15(22)11-4-2-9(16)6-13(11)18/h2-7H,1H3,(H,19,21)(H,20,22)
InChIKeyJFHBWWQVDHDJAZ-UHFFFAOYSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.17
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide 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

tert-butyl N-[2-fluoro-5-[(4-fluoro-2-iodobenzoyl)amino]phenyl]carbamate
CID 55967533
N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide
CID 108797375
N-(5-acetamido-2-fluorophenyl)-3,5-difluoro-4-hydroxybenzamide
CID 86786071
N-(3-fluoro-4-iodophenyl)acetamide
CID 22991944
N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide
CID 28560277
N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide
CID 39709925
N-(5-acetamido-2-fluorophenyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 24673894
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide
CID 112702327

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide (CID 55741246) is N-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide is CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(F)cc2I)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide?
The InChIKey is JFHBWWQVDHDJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2IN2O2/c1-8(21)19-10-3-5-12(17)14(7-10)20-15(22)11-4-2-9(16)6-13(11)18/h2-7H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide?
N-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide has a molecular weight of 416.17 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide is sourced from PubChem (CID 55741246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).