1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione

C11H12IN2O2- — CID 156707562

IUPAC1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione
SMILESC[I-]c1ccc(N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C11H12IN2O2/c1-12-8-2-4-9(5-3-8)14-7-6-10(15)13-11(14)16/h2-5H,6-7H2,1H3,(H,13,15,16)/q-1
InChIKeyBLJYTRQEEDAEIS-UHFFFAOYSA-N
MW331.13 g/mol
LogP-1.98
Rot. Bonds2

About 1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione

1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 156707562) has the molecular formula C11H12IN2O2- and a molecular weight of 331.13 g/mol. Its IUPAC name is 1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione
PubChem CID156707562
Molecular FormulaC11H12IN2O2-
Molecular Weight331.13 g/mol
Exact Mass330.99
IUPAC Name1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione
SMILESC[I-]c1ccc(N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C11H12IN2O2/c1-12-8-2-4-9(5-3-8)14-7-6-10(15)13-11(14)16/h2-5H,6-7H2,1H3,(H,13,15,16)/q-1
InChIKeyBLJYTRQEEDAEIS-UHFFFAOYSA-N
XLogP-1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 5-1.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-iodophenyl)-1,3-diazinane-2,4-dione
CID 73172247
1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione
CID 177010511
1-[4-(4-propan-2-ylphenyl)phenyl]-1,3-diazinane-2,4-dione
CID 167923462
4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
CID 23023749
1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione
CID 166947284
1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione
CID 176705840
1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 171406974
1-[4-[3-(dimethoxymethyl)azetidin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 176705955
1-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 79777682
1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carbaldehyde
CID 163203491
1-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]-1,3-diazinane-2,4-dione
CID 162507471
1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride
CID 170914337

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione (CID 156707562) is 1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione is C[I-]c1ccc(N2CCC(=O)NC2=O)cc1.
What is the InChIKey of 1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is BLJYTRQEEDAEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN2O2/c1-12-8-2-4-9(5-3-8)14-7-6-10(15)13-11(14)16/h2-5H,6-7H2,1H3,(H,13,15,16)/q-1.
What are the key properties of 1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione?
1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 331.13 g/mol, XLogP of -1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 156707562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).