N-(2-fluoro-4-iodophenyl)-3-methylbenzamide

C14H11FINO — CID 17102075

IUPACN-(2-fluoro-4-iodophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(I)cc2F)c1
InChIInChI=1S/C14H11FINO/c1-9-3-2-4-10(7-9)14(18)17-13-6-5-11(16)8-12(13)15/h2-8H,1H3,(H,17,18)
InChIKeyCNQIBHSCSOJYNF-UHFFFAOYSA-N
MW355.15 g/mol
LogP3.99
Rot. Bonds2

About N-(2-fluoro-4-iodophenyl)-3-methylbenzamide

N-(2-fluoro-4-iodophenyl)-3-methylbenzamide (PubChem CID 17102075) has the molecular formula C14H11FINO and a molecular weight of 355.15 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-iodophenyl)-3-methylbenzamide
PubChem CID17102075
Molecular FormulaC14H11FINO
Molecular Weight355.15 g/mol
Exact Mass354.99
IUPAC NameN-(2-fluoro-4-iodophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(I)cc2F)c1
InChIInChI=1S/C14H11FINO/c1-9-3-2-4-10(7-9)14(18)17-13-6-5-11(16)8-12(13)15/h2-8H,1H3,(H,17,18)
InChIKeyCNQIBHSCSOJYNF-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-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
3-(dimethylamino)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26522946
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
N-(2-fluoro-4-iodophenyl)-2-methylbenzamide
CID 17102074
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9165041
N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid
CID 178102332
N-(3-iodo-2-methylphenyl)-3-methylbenzamide
CID 113368760
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 5120746
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide
CID 43580937

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-iodophenyl)-3-methylbenzamide?
The IUPAC name of N-(2-fluoro-4-iodophenyl)-3-methylbenzamide (CID 17102075) is N-(2-fluoro-4-iodophenyl)-3-methylbenzamide.
What is the SMILES notation for N-(2-fluoro-4-iodophenyl)-3-methylbenzamide?
The canonical SMILES for N-(2-fluoro-4-iodophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(I)cc2F)c1.
What is the InChIKey of N-(2-fluoro-4-iodophenyl)-3-methylbenzamide?
The InChIKey is CNQIBHSCSOJYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FINO/c1-9-3-2-4-10(7-9)14(18)17-13-6-5-11(16)8-12(13)15/h2-8H,1H3,(H,17,18).
What are the key properties of N-(2-fluoro-4-iodophenyl)-3-methylbenzamide?
N-(2-fluoro-4-iodophenyl)-3-methylbenzamide 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 N-(2-fluoro-4-iodophenyl)-3-methylbenzamide is sourced from PubChem (CID 17102075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).