N-cyclobutyl-4-iodo-3-methoxybenzamide

C12H14INO2 — CID 155908714

IUPACN-cyclobutyl-4-iodo-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCC2)ccc1I
InChIInChI=1S/C12H14INO2/c1-16-11-7-8(5-6-10(11)13)12(15)14-9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,14,15)
InChIKeyUCFPBHXYQUBJLU-UHFFFAOYSA-N
MW331.15 g/mol
LogP2.58
Rot. Bonds3

About N-cyclobutyl-4-iodo-3-methoxybenzamide

N-cyclobutyl-4-iodo-3-methoxybenzamide (PubChem CID 155908714) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is N-cyclobutyl-4-iodo-3-methoxybenzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-iodo-3-methoxybenzamide
PubChem CID155908714
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC NameN-cyclobutyl-4-iodo-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCC2)ccc1I
InChIInChI=1S/C12H14INO2/c1-16-11-7-8(5-6-10(11)13)12(15)14-9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,14,15)
InChIKeyUCFPBHXYQUBJLU-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
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-methoxy-3-methylbenzamide
CID 121342416
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide
CID 172646951
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-iodo-3-methoxybenzamide?
The IUPAC name of N-cyclobutyl-4-iodo-3-methoxybenzamide (CID 155908714) is N-cyclobutyl-4-iodo-3-methoxybenzamide.
What is the SMILES notation for N-cyclobutyl-4-iodo-3-methoxybenzamide?
The canonical SMILES for N-cyclobutyl-4-iodo-3-methoxybenzamide is COc1cc(C(=O)NC2CCC2)ccc1I.
What is the InChIKey of N-cyclobutyl-4-iodo-3-methoxybenzamide?
The InChIKey is UCFPBHXYQUBJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c1-16-11-7-8(5-6-10(11)13)12(15)14-9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,14,15).
What are the key properties of N-cyclobutyl-4-iodo-3-methoxybenzamide?
N-cyclobutyl-4-iodo-3-methoxybenzamide has a molecular weight of 331.15 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-cyclobutyl-4-iodo-3-methoxybenzamide is sourced from PubChem (CID 155908714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).