1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine

C12H9F2IN2 — CID 66094766

IUPAC1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(F)cc2F)c(I)c1
InChIInChI=1S/C12H9F2IN2/c13-7-1-3-11(9(14)5-7)17-12-4-2-8(16)6-10(12)15/h1-6,17H,16H2
InChIKeyLETOHHXZXYBENN-UHFFFAOYSA-N
MW346.12 g/mol
LogP3.90
Rot. Bonds2

About 1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine

1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine (PubChem CID 66094766) has the molecular formula C12H9F2IN2 and a molecular weight of 346.12 g/mol. Its IUPAC name is 1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine
PubChem CID66094766
Molecular FormulaC12H9F2IN2
Molecular Weight346.12 g/mol
Exact Mass345.98
IUPAC Name1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(F)cc2F)c(I)c1
InChIInChI=1S/C12H9F2IN2/c13-7-1-3-11(9(14)5-7)17-12-4-2-8(16)6-10(12)15/h1-6,17H,16H2
InChIKeyLETOHHXZXYBENN-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.12
LogP ≤ 53.90
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'}

Analyze 1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine 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

4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 113325343
1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29080215
1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine
CID 66093745
4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
CID 152736255
2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine
CID 29067094
4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 79768709
1-N-[(4-fluorophenyl)methyl]-2-iodobenzene-1,4-diamine
CID 66094964
1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43165593
2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126629
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine
CID 66094558

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine?
The IUPAC name of 1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine (CID 66094766) is 1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine?
The canonical SMILES for 1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine is Nc1ccc(Nc2ccc(F)cc2F)c(I)c1.
What is the InChIKey of 1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine?
The InChIKey is LETOHHXZXYBENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2IN2/c13-7-1-3-11(9(14)5-7)17-12-4-2-8(16)6-10(12)15/h1-6,17H,16H2.
What are the key properties of 1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine?
1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine has a molecular weight of 346.12 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine is sourced from PubChem (CID 66094766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).