N-(2,2-dimethoxyethyl)-4-iodobenzamide

C11H14INO3 — CID 10903782

IUPACN-(2,2-dimethoxyethyl)-4-iodobenzamide
SMILESCOC(CNC(=O)c1ccc(I)cc1)OC
InChIInChI=1S/C11H14INO3/c1-15-10(16-2)7-13-11(14)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3,(H,13,14)
InChIKeyFKSHNXIYANGOFX-UHFFFAOYSA-N
MW335.14 g/mol
LogP1.64
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-4-iodobenzamide

N-(2,2-dimethoxyethyl)-4-iodobenzamide (PubChem CID 10903782) has the molecular formula C11H14INO3 and a molecular weight of 335.14 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4-iodobenzamide
PubChem CID10903782
Molecular FormulaC11H14INO3
Molecular Weight335.14 g/mol
Exact Mass335.00
IUPAC NameN-(2,2-dimethoxyethyl)-4-iodobenzamide
SMILESCOC(CNC(=O)c1ccc(I)cc1)OC
InChIInChI=1S/C11H14INO3/c1-15-10(16-2)7-13-11(14)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3,(H,13,14)
InChIKeyFKSHNXIYANGOFX-UHFFFAOYSA-N
XLogP1.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-(2,2-dimethoxyethyl)benzamide
CID 110463963
N-(2,2-dimethoxyethyl)-4-methylsulfanylbenzamide
CID 79214484
2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid
CID 66167865
2-[[(4-iodobenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220470
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide
CID 55025954
N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide
CID 103676431
N-(2,2-dimethoxyethyl)-3-hydroxybenzamide
CID 60653076
N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998690
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
N-[(2S)-2-ethylhexyl]-4-iodobenzamide
CID 95356323
N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530028

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4-iodobenzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-4-iodobenzamide (CID 10903782) is N-(2,2-dimethoxyethyl)-4-iodobenzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4-iodobenzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4-iodobenzamide is COC(CNC(=O)c1ccc(I)cc1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4-iodobenzamide?
The InChIKey is FKSHNXIYANGOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO3/c1-15-10(16-2)7-13-11(14)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3,(H,13,14).
What are the key properties of N-(2,2-dimethoxyethyl)-4-iodobenzamide?
N-(2,2-dimethoxyethyl)-4-iodobenzamide has a molecular weight of 335.14 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4-iodobenzamide is sourced from PubChem (CID 10903782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).