3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide

C16H16INO2 — CID 32602369

IUPAC3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1ccccc1CNC(=O)c1cccc(I)c1
InChIInChI=1S/C16H16INO2/c1-20-11-14-6-3-2-5-13(14)10-18-16(19)12-7-4-8-15(17)9-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyUNAADBOSWYETHI-UHFFFAOYSA-N
MW381.21 g/mol
LogP3.37
Rot. Bonds5

About 3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide

3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide (PubChem CID 32602369) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is 3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
PubChem CID32602369
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1ccccc1CNC(=O)c1cccc(I)c1
InChIInChI=1S/C16H16INO2/c1-20-11-14-6-3-2-5-13(14)10-18-16(19)12-7-4-8-15(17)9-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyUNAADBOSWYETHI-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 53.37
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

4-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602161
N-[[2-(methoxymethyl)phenyl]methyl]-3-sulfamoylbenzamide
CID 34684530
N-[[2-(methoxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762844
4-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 60924658
3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide
CID 32604559
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-iodobenzamide
CID 55664630
2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752307
5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 32602395
3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 103826531
4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide
CID 99717489
N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 32603825
methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate
CID 55766169

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide (CID 32602369) is 3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide is COCc1ccccc1CNC(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide?
The InChIKey is UNAADBOSWYETHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2/c1-20-11-14-6-3-2-5-13(14)10-18-16(19)12-7-4-8-15(17)9-12/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide?
3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide has a molecular weight of 381.21 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 32602369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).