N-butyl-3-(4-fluorophenyl)-5-iodobenzamide

C17H17FINO — CID 126572719

IUPACN-butyl-3-(4-fluorophenyl)-5-iodobenzamide
SMILESCCCCNC(=O)c1cc(I)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H17FINO/c1-2-3-8-20-17(21)14-9-13(10-16(19)11-14)12-4-6-15(18)7-5-12/h4-7,9-11H,2-3,8H2,1H3,(H,20,21)
InChIKeyXHMAUPRMOFXYCJ-UHFFFAOYSA-N
MW397.23 g/mol
LogP4.63
Rot. Bonds5

About N-butyl-3-(4-fluorophenyl)-5-iodobenzamide

N-butyl-3-(4-fluorophenyl)-5-iodobenzamide (PubChem CID 126572719) has the molecular formula C17H17FINO and a molecular weight of 397.23 g/mol. Its IUPAC name is N-butyl-3-(4-fluorophenyl)-5-iodobenzamide.

Molecular Properties

Compound NameN-butyl-3-(4-fluorophenyl)-5-iodobenzamide
PubChem CID126572719
Molecular FormulaC17H17FINO
Molecular Weight397.23 g/mol
Exact Mass397.03
IUPAC NameN-butyl-3-(4-fluorophenyl)-5-iodobenzamide
SMILESCCCCNC(=O)c1cc(I)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H17FINO/c1-2-3-8-20-17(21)14-9-13(10-16(19)11-14)12-4-6-15(18)7-5-12/h4-7,9-11H,2-3,8H2,1H3,(H,20,21)
InChIKeyXHMAUPRMOFXYCJ-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyl-3-(4-fluorophenyl)-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

Related Compounds

N-butyl-4-phenylbenzamide
CID 3637649
1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051094
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
N-butyl-4-[[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111232783
N-butyl-3,5-dimethylbenzamide
CID 17190927
N-butyl-3,5-dihydroxybenzamide
CID 91715801
N-butyl-3,5-diiodo-4-methoxybenzamide
CID 24834302
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis(6-hydroxyhexyl)benzene-1,3-dicarboxamide
CID 100967196
3-fluoro-N-octadecylbenzamide
CID 91711883
N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110848225

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-fluorophenyl)-5-iodobenzamide?
The IUPAC name of N-butyl-3-(4-fluorophenyl)-5-iodobenzamide (CID 126572719) is N-butyl-3-(4-fluorophenyl)-5-iodobenzamide.
What is the SMILES notation for N-butyl-3-(4-fluorophenyl)-5-iodobenzamide?
The canonical SMILES for N-butyl-3-(4-fluorophenyl)-5-iodobenzamide is CCCCNC(=O)c1cc(I)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of N-butyl-3-(4-fluorophenyl)-5-iodobenzamide?
The InChIKey is XHMAUPRMOFXYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FINO/c1-2-3-8-20-17(21)14-9-13(10-16(19)11-14)12-4-6-15(18)7-5-12/h4-7,9-11H,2-3,8H2,1H3,(H,20,21).
What are the key properties of N-butyl-3-(4-fluorophenyl)-5-iodobenzamide?
N-butyl-3-(4-fluorophenyl)-5-iodobenzamide has a molecular weight of 397.23 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-fluorophenyl)-5-iodobenzamide is sourced from PubChem (CID 126572719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).