[4-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone

C17H14INO2 — CID 53358203

IUPAC[4-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone
SMILESCN(C)c1ccc(C(=O)c2cc3cc(I)ccc3o2)cc1
InChIInChI=1S/C17H14INO2/c1-19(2)14-6-3-11(4-7-14)17(20)16-10-12-9-13(18)5-8-15(12)21-16/h3-10H,1-2H3
InChIKeyYCVMWUQCHHXKNN-UHFFFAOYSA-N
MW391.21 g/mol
LogP4.33
Rot. Bonds3

About [4-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone

[4-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone (PubChem CID 53358203) has the molecular formula C17H14INO2 and a molecular weight of 391.21 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone
PubChem CID53358203
Molecular FormulaC17H14INO2
Molecular Weight391.21 g/mol
Exact Mass391.01
IUPAC Name[4-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone
SMILESCN(C)c1ccc(C(=O)c2cc3cc(I)ccc3o2)cc1
InChIInChI=1S/C17H14INO2/c1-19(2)14-6-3-11(4-7-14)17(20)16-10-12-9-13(18)5-8-15(12)21-16/h3-10H,1-2H3
InChIKeyYCVMWUQCHHXKNN-UHFFFAOYSA-N
XLogP4.33
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone (CID 53358203) is [4-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone is CN(C)c1ccc(C(=O)c2cc3cc(I)ccc3o2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone?
The InChIKey is YCVMWUQCHHXKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14INO2/c1-19(2)14-6-3-11(4-7-14)17(20)16-10-12-9-13(18)5-8-15(12)21-16/h3-10H,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone?
[4-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone has a molecular weight of 391.21 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(5-iodo-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 53358203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).