2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide

C13H11FIN3O — CID 79768786

IUPAC2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(F)cc2I)c(N)c1
InChIInChI=1S/C13H11FIN3O/c14-7-1-4-12(10(15)5-7)18-13(19)9-3-2-8(16)6-11(9)17/h1-6H,16-17H2,(H,18,19)
InChIKeyWSZABBWVIPIKCW-UHFFFAOYSA-N
MW371.15 g/mol
LogP2.85
Rot. Bonds2

About 2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide

2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide (PubChem CID 79768786) has the molecular formula C13H11FIN3O and a molecular weight of 371.15 g/mol. Its IUPAC name is 2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide
PubChem CID79768786
Molecular FormulaC13H11FIN3O
Molecular Weight371.15 g/mol
Exact Mass370.99
IUPAC Name2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(F)cc2I)c(N)c1
InChIInChI=1S/C13H11FIN3O/c14-7-1-4-12(10(15)5-7)18-13(19)9-3-2-8(16)6-11(9)17/h1-6H,16-17H2,(H,18,19)
InChIKeyWSZABBWVIPIKCW-UHFFFAOYSA-N
XLogP2.85
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.15
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-fluoro-2-iodophenyl)-6-methylpyridine-3-carboxamide
CID 81245036
5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 81316083
2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide
CID 107624102
2-amino-N-(4-fluoro-2-iodophenyl)-5-methoxybenzamide
CID 79769439
2-amino-3-fluoro-N-(4-fluoro-2-iodophenyl)pyridine-4-carboxamide
CID 105386874
5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide
CID 29079625
2,4-diamino-N-(2,4-dichlorophenyl)benzamide
CID 61091411
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
4-chloro-N-(4-fluoro-2-iodophenyl)-2-hydroxybenzamide
CID 79766720
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide
CID 79766785

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide?
The IUPAC name of 2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide (CID 79768786) is 2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide?
The canonical SMILES for 2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide is Nc1ccc(C(=O)Nc2ccc(F)cc2I)c(N)c1.
What is the InChIKey of 2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide?
The InChIKey is WSZABBWVIPIKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FIN3O/c14-7-1-4-12(10(15)5-7)18-13(19)9-3-2-8(16)6-11(9)17/h1-6H,16-17H2,(H,18,19).
What are the key properties of 2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide?
2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide has a molecular weight of 371.15 g/mol, XLogP of 2.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide is sourced from PubChem (CID 79768786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).