2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide

C13H16INO2 — CID 103993329

IUPAC2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
SMILESCOC1(CNC(=O)c2ccccc2I)CCC1
InChIInChI=1S/C13H16INO2/c1-17-13(7-4-8-13)9-15-12(16)10-5-2-3-6-11(10)14/h2-3,5-6H,4,7-9H2,1H3,(H,15,16)
InChIKeyHPTQFNZYNRTQRM-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.59
Rot. Bonds4

About 2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide

2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide (PubChem CID 103993329) has the molecular formula C13H16INO2 and a molecular weight of 345.18 g/mol. Its IUPAC name is 2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
PubChem CID103993329
Molecular FormulaC13H16INO2
Molecular Weight345.18 g/mol
Exact Mass345.02
IUPAC Name2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
SMILESCOC1(CNC(=O)c2ccccc2I)CCC1
InChIInChI=1S/C13H16INO2/c1-17-13(7-4-8-13)9-15-12(16)10-5-2-3-6-11(10)14/h2-3,5-6H,4,7-9H2,1H3,(H,15,16)
InChIKeyHPTQFNZYNRTQRM-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.59
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

2-bromo-5-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 113362668
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 113294004
2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762311
2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 103993294
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 115455970
2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide
CID 106812376
N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide
CID 136521765
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfanylbenzamide
CID 114120959
N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide
CID 103993280
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
CID 108571243
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide
CID 103991189

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide?
The IUPAC name of 2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide (CID 103993329) is 2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide?
The canonical SMILES for 2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide is COC1(CNC(=O)c2ccccc2I)CCC1.
What is the InChIKey of 2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide?
The InChIKey is HPTQFNZYNRTQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO2/c1-17-13(7-4-8-13)9-15-12(16)10-5-2-3-6-11(10)14/h2-3,5-6H,4,7-9H2,1H3,(H,15,16).
What are the key properties of 2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide?
2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide has a molecular weight of 345.18 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 103993329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).