N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide

C16H12INO2 — CID 166213000

IUPACN-(1-benzofuran-6-ylmethyl)-2-iodobenzamide
SMILESO=C(NCc1ccc2ccoc2c1)c1ccccc1I
InChIInChI=1S/C16H12INO2/c17-14-4-2-1-3-13(14)16(19)18-10-11-5-6-12-7-8-20-15(12)9-11/h1-9H,10H2,(H,18,19)
InChIKeyIBSHBZIUVVLSFA-UHFFFAOYSA-N
MW377.18 g/mol
LogP3.97
Rot. Bonds3

About N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide

N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide (PubChem CID 166213000) has the molecular formula C16H12INO2 and a molecular weight of 377.18 g/mol. Its IUPAC name is N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(1-benzofuran-6-ylmethyl)-2-iodobenzamide
PubChem CID166213000
Molecular FormulaC16H12INO2
Molecular Weight377.18 g/mol
Exact Mass376.99
IUPAC NameN-(1-benzofuran-6-ylmethyl)-2-iodobenzamide
SMILESO=C(NCc1ccc2ccoc2c1)c1ccccc1I
InChIInChI=1S/C16H12INO2/c17-14-4-2-1-3-13(14)16(19)18-10-11-5-6-12-7-8-20-15(12)9-11/h1-9H,10H2,(H,18,19)
InChIKeyIBSHBZIUVVLSFA-UHFFFAOYSA-N
XLogP3.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide
CID 166212980
N-[(3-fluorophenyl)methyl]-2-iodobenzamide
CID 46447840
N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide
CID 62500805
N-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide
CID 166223578
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
2-iodo-N-[(4-nitrophenyl)methyl]benzamide
CID 47311873
2-iodo-N-[(3-nitrophenyl)methyl]benzamide
CID 47450330
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-iodobenzamide
CID 76932753
N-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide
CID 166213010
N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
CID 47059383
2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933632

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide?
The IUPAC name of N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide (CID 166213000) is N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide.
What is the SMILES notation for N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide?
The canonical SMILES for N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide is O=C(NCc1ccc2ccoc2c1)c1ccccc1I.
What is the InChIKey of N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide?
The InChIKey is IBSHBZIUVVLSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO2/c17-14-4-2-1-3-13(14)16(19)18-10-11-5-6-12-7-8-20-15(12)9-11/h1-9H,10H2,(H,18,19).
What are the key properties of N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide?
N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide has a molecular weight of 377.18 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide is sourced from PubChem (CID 166213000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).