N-iodo-N-phenylaniline

C12H10IN — CID 87457232

IUPACN-iodo-N-phenylaniline
SMILESIN(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10IN/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyRHQYLZRLLIXIME-UHFFFAOYSA-N
MW295.12 g/mol
LogP4.17
Rot. Bonds2

About N-iodo-N-phenylaniline

N-iodo-N-phenylaniline (PubChem CID 87457232) has the molecular formula C12H10IN and a molecular weight of 295.12 g/mol. Its IUPAC name is N-iodo-N-phenylaniline.

Molecular Properties

Compound NameN-iodo-N-phenylaniline
PubChem CID87457232
Molecular FormulaC12H10IN
Molecular Weight295.12 g/mol
Exact Mass294.99
IUPAC NameN-iodo-N-phenylaniline
SMILESIN(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10IN/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyRHQYLZRLLIXIME-UHFFFAOYSA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-iodo-N-phenylaniline?
The IUPAC name of N-iodo-N-phenylaniline (CID 87457232) is N-iodo-N-phenylaniline.
What is the SMILES notation for N-iodo-N-phenylaniline?
The canonical SMILES for N-iodo-N-phenylaniline is IN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-iodo-N-phenylaniline?
The InChIKey is RHQYLZRLLIXIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of N-iodo-N-phenylaniline?
N-iodo-N-phenylaniline has a molecular weight of 295.12 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-phenylaniline is sourced from PubChem (CID 87457232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).