N-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine

C19H13FINO — CID 145276734

IUPACN-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine
SMILESFc1ccccc1N(I)c1cccc2c3c(oc12)C=CC=CC3
InChIInChI=1S/C19H13FINO/c20-15-9-4-5-10-16(15)22(21)17-11-6-8-14-13-7-2-1-3-12-18(13)23-19(14)17/h1-6,8-12H,7H2
InChIKeyJTJIUIMQIZUUQF-UHFFFAOYSA-N
MW417.22 g/mol
LogP6.19
Rot. Bonds2

About N-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine

N-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine (PubChem CID 145276734) has the molecular formula C19H13FINO and a molecular weight of 417.22 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine
PubChem CID145276734
Molecular FormulaC19H13FINO
Molecular Weight417.22 g/mol
Exact Mass417.00
IUPAC NameN-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine
SMILESFc1ccccc1N(I)c1cccc2c3c(oc12)C=CC=CC3
InChIInChI=1S/C19H13FINO/c20-15-9-4-5-10-16(15)22(21)17-11-6-8-14-13-7-2-1-3-12-18(13)23-19(14)17/h1-6,8-12H,7H2
InChIKeyJTJIUIMQIZUUQF-UHFFFAOYSA-N
XLogP6.19
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.22
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine?
The IUPAC name of N-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine (CID 145276734) is N-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine is Fc1ccccc1N(I)c1cccc2c3c(oc12)C=CC=CC3.
What is the InChIKey of N-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine?
The InChIKey is JTJIUIMQIZUUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FINO/c20-15-9-4-5-10-16(15)22(21)17-11-6-8-14-13-7-2-1-3-12-18(13)23-19(14)17/h1-6,8-12H,7H2.
What are the key properties of N-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine?
N-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine has a molecular weight of 417.22 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine is sourced from PubChem (CID 145276734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).