4-fluoro-N-(3-iodo-2-methylphenyl)benzamide

C14H11FINO — CID 113368778

IUPAC4-fluoro-N-(3-iodo-2-methylphenyl)benzamide
SMILESCc1c(I)cccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H11FINO/c1-9-12(16)3-2-4-13(9)17-14(18)10-5-7-11(15)8-6-10/h2-8H,1H3,(H,17,18)
InChIKeyFSOCQWFWIFSDHO-UHFFFAOYSA-N
MW355.15 g/mol
LogP3.99
Rot. Bonds2

About 4-fluoro-N-(3-iodo-2-methylphenyl)benzamide

4-fluoro-N-(3-iodo-2-methylphenyl)benzamide (PubChem CID 113368778) has the molecular formula C14H11FINO and a molecular weight of 355.15 g/mol. Its IUPAC name is 4-fluoro-N-(3-iodo-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-iodo-2-methylphenyl)benzamide
PubChem CID113368778
Molecular FormulaC14H11FINO
Molecular Weight355.15 g/mol
Exact Mass354.99
IUPAC Name4-fluoro-N-(3-iodo-2-methylphenyl)benzamide
SMILESCc1c(I)cccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H11FINO/c1-9-12(16)3-2-4-13(9)17-14(18)10-5-7-11(15)8-6-10/h2-8H,1H3,(H,17,18)
InChIKeyFSOCQWFWIFSDHO-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
4-fluoro-N-(2-iodophenyl)benzamide
CID 687036
4-fluoro-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61036384
N-(3-iodo-2-methylphenyl)-3-methylbenzamide
CID 113368760
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 8015612
4-fluoro-N-(2-iodo-4-methylphenyl)benzamide
CID 531959
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79041653
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide
CID 113368793
2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
CID 13390039
4-acetamido-N-(3-acetamido-2-methylphenyl)benzamide
CID 134019280

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-iodo-2-methylphenyl)benzamide?
The IUPAC name of 4-fluoro-N-(3-iodo-2-methylphenyl)benzamide (CID 113368778) is 4-fluoro-N-(3-iodo-2-methylphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-iodo-2-methylphenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-iodo-2-methylphenyl)benzamide is Cc1c(I)cccc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-iodo-2-methylphenyl)benzamide?
The InChIKey is FSOCQWFWIFSDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FINO/c1-9-12(16)3-2-4-13(9)17-14(18)10-5-7-11(15)8-6-10/h2-8H,1H3,(H,17,18).
What are the key properties of 4-fluoro-N-(3-iodo-2-methylphenyl)benzamide?
4-fluoro-N-(3-iodo-2-methylphenyl)benzamide has a molecular weight of 355.15 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-iodo-2-methylphenyl)benzamide is sourced from PubChem (CID 113368778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).