N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide

C14H16INO2 — CID 103864238

IUPACN-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide
SMILESO=C(NC1CCOC1C1CC1)c1cccc(I)c1
InChIInChI=1S/C14H16INO2/c15-11-3-1-2-10(8-11)14(17)16-12-6-7-18-13(12)9-4-5-9/h1-3,8-9,12-13H,4-7H2,(H,16,17)
InChIKeyDUPWMPKHQJVMNX-UHFFFAOYSA-N
MW357.19 g/mol
LogP2.59
Rot. Bonds3

About N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide

N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide (PubChem CID 103864238) has the molecular formula C14H16INO2 and a molecular weight of 357.19 g/mol. Its IUPAC name is N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide
PubChem CID103864238
Molecular FormulaC14H16INO2
Molecular Weight357.19 g/mol
Exact Mass357.02
IUPAC NameN-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide
SMILESO=C(NC1CCOC1C1CC1)c1cccc(I)c1
InChIInChI=1S/C14H16INO2/c15-11-3-1-2-10(8-11)14(17)16-12-6-7-18-13(12)9-4-5-9/h1-3,8-9,12-13H,4-7H2,(H,16,17)
InChIKeyDUPWMPKHQJVMNX-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
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

N-(2-cyclopropyloxolan-3-yl)-1H-indole-6-carboxamide
CID 103864226
3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide
CID 103908532
2-[(3-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813119
N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide
CID 103864653
N-(2-cyclopropyloxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 103865039
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198
N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
CID 119474943
3-iodo-N-(2-propylcyclopropyl)benzamide
CID 103713511
3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
CID 7332918
N-(3,4-dimethylcyclohexyl)-3-iodobenzamide
CID 64743317
2-cyclopropyl-2-[(3-iodobenzoyl)amino]acetic acid
CID 62696091
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide
CID 103864687

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide?
The IUPAC name of N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide (CID 103864238) is N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide.
What is the SMILES notation for N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide?
The canonical SMILES for N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide is O=C(NC1CCOC1C1CC1)c1cccc(I)c1.
What is the InChIKey of N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide?
The InChIKey is DUPWMPKHQJVMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO2/c15-11-3-1-2-10(8-11)14(17)16-12-6-7-18-13(12)9-4-5-9/h1-3,8-9,12-13H,4-7H2,(H,16,17).
What are the key properties of N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide?
N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide has a molecular weight of 357.19 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide is sourced from PubChem (CID 103864238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).