N-(1-bicyclo[1.1.1]pentanyl)-2-iodo-4-methoxybenzamide

C13H14INO2 — CID 172646902

IUPACN-(1-bicyclo[1.1.1]pentanyl)-2-iodo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC23CC(C2)C3)c(I)c1
InChIInChI=1S/C13H14INO2/c1-17-9-2-3-10(11(14)4-9)12(16)15-13-5-8(6-13)7-13/h2-4,8H,5-7H2,1H3,(H,15,16)
InChIKeyGUMTXGADBRXXCE-UHFFFAOYSA-N
MW343.16 g/mol
LogP2.58
Rot. Bonds3

About N-(1-bicyclo[1.1.1]pentanyl)-2-iodo-4-methoxybenzamide

N-(1-bicyclo[1.1.1]pentanyl)-2-iodo-4-methoxybenzamide (PubChem CID 172646902) 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)-2-iodo-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-2-iodo-4-methoxybenzamide
PubChem CID172646902
Molecular FormulaC13H14INO2
Molecular Weight343.16 g/mol
Exact Mass343.01
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-2-iodo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC23CC(C2)C3)c(I)c1
InChIInChI=1S/C13H14INO2/c1-17-9-2-3-10(11(14)4-9)12(16)15-13-5-8(6-13)7-13/h2-4,8H,5-7H2,1H3,(H,15,16)
InChIKeyGUMTXGADBRXXCE-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-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide
CID 172646951
N-(1-adamantylcarbamothioyl)-2,4-dimethoxybenzamide
CID 17314085
2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 97087681
N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide
CID 119505130
2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120600382
N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-2-(2,2,2-trifluoroethoxy)benzamide
CID 172646946
N-(1-bicyclo[1.1.1]pentanyl)-2-bromo-5-ethoxybenzamide
CID 172646967
N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-2,4-dimethoxybenzamide
CID 171979000
(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide
CID 42063752
N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide
CID 119605873
3-bromo-1-(2-iodo-4-methoxyphenyl)propan-1-one
CID 134638047
N-(1-adamantyl)-4-hydroxy-2-methylbenzamide
CID 103863609

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-iodo-4-methoxybenzamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-iodo-4-methoxybenzamide (CID 172646902) is N-(1-bicyclo[1.1.1]pentanyl)-2-iodo-4-methoxybenzamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-2-iodo-4-methoxybenzamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-2-iodo-4-methoxybenzamide is COc1ccc(C(=O)NC23CC(C2)C3)c(I)c1.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-2-iodo-4-methoxybenzamide?
The InChIKey is GUMTXGADBRXXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO2/c1-17-9-2-3-10(11(14)4-9)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)-2-iodo-4-methoxybenzamide?
N-(1-bicyclo[1.1.1]pentanyl)-2-iodo-4-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)-2-iodo-4-methoxybenzamide is sourced from PubChem (CID 172646902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).