2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine

C14H14FIN2O — CID 66101863

IUPAC2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
SMILESCCOc1cccc(Nc2cc(F)c(I)cc2N)c1
InChIInChI=1S/C14H14FIN2O/c1-2-19-10-5-3-4-9(6-10)18-14-7-11(15)12(16)8-13(14)17/h3-8,18H,2,17H2,1H3
InChIKeyOHFGLHVBLFZSNQ-UHFFFAOYSA-N
MW372.18 g/mol
LogP4.15
Rot. Bonds4

About 2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine

2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine (PubChem CID 66101863) has the molecular formula C14H14FIN2O and a molecular weight of 372.18 g/mol. Its IUPAC name is 2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
PubChem CID66101863
Molecular FormulaC14H14FIN2O
Molecular Weight372.18 g/mol
Exact Mass372.01
IUPAC Name2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
SMILESCCOc1cccc(Nc2cc(F)c(I)cc2N)c1
InChIInChI=1S/C14H14FIN2O/c1-2-19-10-5-3-4-9(6-10)18-14-7-11(15)12(16)8-13(14)17/h3-8,18H,2,17H2,1H3
InChIKeyOHFGLHVBLFZSNQ-UHFFFAOYSA-N
XLogP4.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 54.15
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine?
The IUPAC name of 2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine (CID 66101863) is 2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine?
The canonical SMILES for 2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine is CCOc1cccc(Nc2cc(F)c(I)cc2N)c1.
What is the InChIKey of 2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine?
The InChIKey is OHFGLHVBLFZSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FIN2O/c1-2-19-10-5-3-4-9(6-10)18-14-7-11(15)12(16)8-13(14)17/h3-8,18H,2,17H2,1H3.
What are the key properties of 2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine?
2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine has a molecular weight of 372.18 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine is sourced from PubChem (CID 66101863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).