2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile

C14H10ClIN2O — CID 107606692

IUPAC2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(Nc2ccc(I)cc2Cl)c1
InChIInChI=1S/C14H10ClIN2O/c1-19-11-4-2-9(8-17)14(7-11)18-13-5-3-10(16)6-12(13)15/h2-7,18H,1H3
InChIKeyOAZICYHKDRKKAD-UHFFFAOYSA-N
MW384.60 g/mol
LogP4.57
Rot. Bonds3

About 2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile

2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile (PubChem CID 107606692) has the molecular formula C14H10ClIN2O and a molecular weight of 384.60 g/mol. Its IUPAC name is 2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile
PubChem CID107606692
Molecular FormulaC14H10ClIN2O
Molecular Weight384.60 g/mol
Exact Mass383.95
IUPAC Name2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(Nc2ccc(I)cc2Cl)c1
InChIInChI=1S/C14H10ClIN2O/c1-19-11-4-2-9(8-17)14(7-11)18-13-5-3-10(16)6-12(13)15/h2-7,18H,1H3
InChIKeyOAZICYHKDRKKAD-UHFFFAOYSA-N
XLogP4.57
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.60
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile?
The IUPAC name of 2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile (CID 107606692) is 2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile.
What is the SMILES notation for 2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile?
The canonical SMILES for 2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile is COc1ccc(C#N)c(Nc2ccc(I)cc2Cl)c1.
What is the InChIKey of 2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile?
The InChIKey is OAZICYHKDRKKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIN2O/c1-19-11-4-2-9(8-17)14(7-11)18-13-5-3-10(16)6-12(13)15/h2-7,18H,1H3.
What are the key properties of 2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile?
2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile has a molecular weight of 384.60 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile is sourced from PubChem (CID 107606692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).