N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide

C13H14INO2 — CID 172646951

IUPACN-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC23CC(C2)C3)ccc1I
InChIInChI=1S/C13H14INO2/c1-17-11-4-9(2-3-10(11)14)12(16)15-13-5-8(6-13)7-13/h2-4,8H,5-7H2,1H3,(H,15,16)
InChIKeyWFWWDZUWZLFQFI-UHFFFAOYSA-N
MW343.16 g/mol
LogP2.58
Rot. Bonds3

About N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide

N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide (PubChem CID 172646951) has the molecular formula C13H14INO2 and a molecular weight of 343.16 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide
PubChem CID172646951
Molecular FormulaC13H14INO2
Molecular Weight343.16 g/mol
Exact Mass343.01
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC23CC(C2)C3)ccc1I
InChIInChI=1S/C13H14INO2/c1-17-11-4-9(2-3-10(11)14)12(16)15-13-5-8(6-13)7-13/h2-4,8H,5-7H2,1H3,(H,15,16)
InChIKeyWFWWDZUWZLFQFI-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 52.58
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-cyclopentyl-4-iodo-3-methoxybenzamide
CID 155908716
N-cyclobutyl-4-iodo-3-methoxybenzamide
CID 155908714
N-(1-bicyclo[1.1.1]pentanyl)-2-iodo-4-methoxybenzamide
CID 172646902
4-(1-bicyclo[1.1.1]pentanylcarbamoyl)benzoic acid
CID 178070536
N-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 2923053
N-(1-adamantyl)-3,4-dipentoxybenzamide
CID 44759498
(4-iodo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 155908718
N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 3257461
N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide
CID 166001387
N-(1-adamantylcarbamothioyl)-4-methoxy-3-nitrobenzamide
CID 4634599
N-(1-adamantyl)-3,5-dichloro-4-methoxybenzamide
CID 17102619
[2-(1-adamantylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903727

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide (CID 172646951) is N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide is COc1cc(C(=O)NC23CC(C2)C3)ccc1I.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide?
The InChIKey is WFWWDZUWZLFQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO2/c1-17-11-4-9(2-3-10(11)14)12(16)15-13-5-8(6-13)7-13/h2-4,8H,5-7H2,1H3,(H,15,16).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide?
N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide has a molecular weight of 343.16 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide is sourced from PubChem (CID 172646951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).