3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide

C14H11F2IN2O — CID 79769032

IUPAC3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2ccc(F)cc2I)cc1F
InChIInChI=1S/C14H11F2IN2O/c1-7-10(16)4-8(5-12(7)18)14(20)19-13-3-2-9(15)6-11(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyJFKANBGRIZIREF-UHFFFAOYSA-N
MW388.16 g/mol
LogP3.71
Rot. Bonds2

About 3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide

3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide (PubChem CID 79769032) has the molecular formula C14H11F2IN2O and a molecular weight of 388.16 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide
PubChem CID79769032
Molecular FormulaC14H11F2IN2O
Molecular Weight388.16 g/mol
Exact Mass387.99
IUPAC Name3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2ccc(F)cc2I)cc1F
InChIInChI=1S/C14H11F2IN2O/c1-7-10(16)4-8(5-12(7)18)14(20)19-13-3-2-9(15)6-11(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyJFKANBGRIZIREF-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.16
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 60861029
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768442
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117051
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60862528
3-amino-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 16784210
4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79769352
3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide
CID 60861854
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
N-(4-fluoro-2-iodophenyl)-3-hydroxy-4-methylbenzamide
CID 79766392

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide?
The IUPAC name of 3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide (CID 79769032) is 3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide is Cc1c(N)cc(C(=O)Nc2ccc(F)cc2I)cc1F.
What is the InChIKey of 3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide?
The InChIKey is JFKANBGRIZIREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2IN2O/c1-7-10(16)4-8(5-12(7)18)14(20)19-13-3-2-9(15)6-11(13)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide?
3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide has a molecular weight of 388.16 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide is sourced from PubChem (CID 79769032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).