7-(iodoamino)-7-oxoheptanoyl iodide

C7H11I2NO2 — CID 166844006

IUPAC7-(iodoamino)-7-oxoheptanoyl iodide
SMILESO=C(I)CCCCCC(=O)NI
InChIInChI=1S/C7H11I2NO2/c8-6(11)4-2-1-3-5-7(12)10-9/h1-5H2,(H,10,12)
InChIKeyFDGJOQJWUSITJQ-UHFFFAOYSA-N
MW394.98 g/mol
LogP2.36
Rot. Bonds6

About 7-(iodoamino)-7-oxoheptanoyl iodide

7-(iodoamino)-7-oxoheptanoyl iodide (PubChem CID 166844006) has the molecular formula C7H11I2NO2 and a molecular weight of 394.98 g/mol. Its IUPAC name is 7-(iodoamino)-7-oxoheptanoyl iodide.

Molecular Properties

Compound Name7-(iodoamino)-7-oxoheptanoyl iodide
PubChem CID166844006
Molecular FormulaC7H11I2NO2
Molecular Weight394.98 g/mol
Exact Mass394.89
IUPAC Name7-(iodoamino)-7-oxoheptanoyl iodide
SMILESO=C(I)CCCCCC(=O)NI
InChIInChI=1S/C7H11I2NO2/c8-6(11)4-2-1-3-5-7(12)10-9/h1-5H2,(H,10,12)
InChIKeyFDGJOQJWUSITJQ-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.98
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-iodooctanamide
CID 19040107
18-oxooctadecanoyl iodide
CID 88943662
N-iodo-4-[iodomethyl(methyl)amino]butanamide
CID 118370506
6-ethenylsulfonylhexanoyl iodide
CID 121401578
4-chlorobutanoyl iodide
CID 12715974
N,N'-dimethylheptanediamide
CID 15166696
5-(dithiolan-3-yl)-N-iodopentanamide
CID 90260241
18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-iodo-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 139387749
methyl 4-(iodoamino)-4-oxobutanoate
CID 131969933
N-hydroxy-8-iodooctanamide
CID 87681195
N-hydroxy-11-iodoundecanamide
CID 87686066
N,N'-diethylnonanediamide
CID 89048639

Frequently Asked Questions

What is the IUPAC name of 7-(iodoamino)-7-oxoheptanoyl iodide?
The IUPAC name of 7-(iodoamino)-7-oxoheptanoyl iodide (CID 166844006) is 7-(iodoamino)-7-oxoheptanoyl iodide.
What is the SMILES notation for 7-(iodoamino)-7-oxoheptanoyl iodide?
The canonical SMILES for 7-(iodoamino)-7-oxoheptanoyl iodide is O=C(I)CCCCCC(=O)NI.
What is the InChIKey of 7-(iodoamino)-7-oxoheptanoyl iodide?
The InChIKey is FDGJOQJWUSITJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11I2NO2/c8-6(11)4-2-1-3-5-7(12)10-9/h1-5H2,(H,10,12).
What are the key properties of 7-(iodoamino)-7-oxoheptanoyl iodide?
7-(iodoamino)-7-oxoheptanoyl iodide has a molecular weight of 394.98 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(iodoamino)-7-oxoheptanoyl iodide is sourced from PubChem (CID 166844006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).