N-(3-ethoxycyclobutyl)-4-iodobenzamide

C13H16INO2 — CID 102610594

IUPACN-(3-ethoxycyclobutyl)-4-iodobenzamide
SMILESCCOC1CC(NC(=O)c2ccc(I)cc2)C1
InChIInChI=1S/C13H16INO2/c1-2-17-12-7-11(8-12)15-13(16)9-3-5-10(14)6-4-9/h3-6,11-12H,2,7-8H2,1H3,(H,15,16)
InChIKeyHNVDSYUAYGAJQB-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.59
Rot. Bonds4

About N-(3-ethoxycyclobutyl)-4-iodobenzamide

N-(3-ethoxycyclobutyl)-4-iodobenzamide (PubChem CID 102610594) has the molecular formula C13H16INO2 and a molecular weight of 345.18 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-4-iodobenzamide
PubChem CID102610594
Molecular FormulaC13H16INO2
Molecular Weight345.18 g/mol
Exact Mass345.02
IUPAC NameN-(3-ethoxycyclobutyl)-4-iodobenzamide
SMILESCCOC1CC(NC(=O)c2ccc(I)cc2)C1
InChIInChI=1S/C13H16INO2/c1-2-17-12-7-11(8-12)15-13(16)9-3-5-10(14)6-4-9/h3-6,11-12H,2,7-8H2,1H3,(H,15,16)
InChIKeyHNVDSYUAYGAJQB-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

4-cyano-N-(3-ethoxycyclobutyl)benzamide
CID 102610611
N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide
CID 102610643
6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide
CID 102610570
4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide
CID 102673953
4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide
CID 112553050
5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
CID 102610577
4-iodo-N-(2-methylcyclopropyl)benzamide
CID 58185353
methyl 4-[(4-iodobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617185
1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea
CID 154764124
N-(3-ethoxycyclobutyl)-1H-indole-3-carboxamide
CID 102673960
N-(3-ethoxycyclobutyl)-1H-indole-2-carboxamide
CID 102612122
1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166137

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-4-iodobenzamide?
The IUPAC name of N-(3-ethoxycyclobutyl)-4-iodobenzamide (CID 102610594) is N-(3-ethoxycyclobutyl)-4-iodobenzamide.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-4-iodobenzamide?
The canonical SMILES for N-(3-ethoxycyclobutyl)-4-iodobenzamide is CCOC1CC(NC(=O)c2ccc(I)cc2)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-4-iodobenzamide?
The InChIKey is HNVDSYUAYGAJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO2/c1-2-17-12-7-11(8-12)15-13(16)9-3-5-10(14)6-4-9/h3-6,11-12H,2,7-8H2,1H3,(H,15,16).
What are the key properties of N-(3-ethoxycyclobutyl)-4-iodobenzamide?
N-(3-ethoxycyclobutyl)-4-iodobenzamide 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 N-(3-ethoxycyclobutyl)-4-iodobenzamide is sourced from PubChem (CID 102610594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).