N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide

C13H16INO3 — CID 103762608

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide
SMILESCC1(C)OCC(CNC(=O)c2ccccc2I)O1
InChIInChI=1S/C13H16INO3/c1-13(2)17-8-9(18-13)7-15-12(16)10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyISRXAONZXDBHAC-UHFFFAOYSA-N
MW361.18 g/mol
LogP2.17
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide (PubChem CID 103762608) has the molecular formula C13H16INO3 and a molecular weight of 361.18 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide
PubChem CID103762608
Molecular FormulaC13H16INO3
Molecular Weight361.18 g/mol
Exact Mass361.02
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide
SMILESCC1(C)OCC(CNC(=O)c2ccccc2I)O1
InChIInChI=1S/C13H16INO3/c1-13(2)17-8-9(18-13)7-15-12(16)10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyISRXAONZXDBHAC-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide
CID 107390214
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-iodobenzamide
CID 44756377
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide
CID 103800511
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylbenzamide
CID 113264578
5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
CID 103842932
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 103762598
5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
CID 103800461
4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103762524
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide
CID 3669993
2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide
CID 107389450
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 113264583
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
CID 103762543

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide (CID 103762608) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide is CC1(C)OCC(CNC(=O)c2ccccc2I)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide?
The InChIKey is ISRXAONZXDBHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO3/c1-13(2)17-8-9(18-13)7-15-12(16)10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide has a molecular weight of 361.18 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide is sourced from PubChem (CID 103762608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).