4-iodo-N-phenylaniline

C12H10IN — CID 11471947

IUPAC4-iodo-N-phenylaniline
SMILESIc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H10IN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H
InChIKeyKHYPRSPEYAAECC-UHFFFAOYSA-N
MW295.12 g/mol
LogP4.03
Rot. Bonds2

About 4-iodo-N-phenylaniline

4-iodo-N-phenylaniline (PubChem CID 11471947) has the molecular formula C12H10IN and a molecular weight of 295.12 g/mol. Its IUPAC name is 4-iodo-N-phenylaniline.

Molecular Properties

Compound Name4-iodo-N-phenylaniline
PubChem CID11471947
Molecular FormulaC12H10IN
Molecular Weight295.12 g/mol
Exact Mass294.99
IUPAC Name4-iodo-N-phenylaniline
SMILESIc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H10IN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H
InChIKeyKHYPRSPEYAAECC-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-phenylaniline?
The IUPAC name of 4-iodo-N-phenylaniline (CID 11471947) is 4-iodo-N-phenylaniline.
What is the SMILES notation for 4-iodo-N-phenylaniline?
The canonical SMILES for 4-iodo-N-phenylaniline is Ic1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-iodo-N-phenylaniline?
The InChIKey is KHYPRSPEYAAECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H.
What are the key properties of 4-iodo-N-phenylaniline?
4-iodo-N-phenylaniline has a molecular weight of 295.12 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-phenylaniline is sourced from PubChem (CID 11471947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).