N-(4-iodobutyl)carbamoyl iodide

C5H9I2NO — CID 126602978

IUPACN-(4-iodobutyl)carbamoyl iodide
SMILESO=C(I)NCCCCI
InChIInChI=1S/C5H9I2NO/c6-3-1-2-4-8-5(7)9/h1-4H2,(H,8,9)
InChIKeySPDJEVSJLBEHFJ-UHFFFAOYSA-N
MW352.94 g/mol
LogP2.35
Rot. Bonds4

About N-(4-iodobutyl)carbamoyl iodide

N-(4-iodobutyl)carbamoyl iodide (PubChem CID 126602978) has the molecular formula C5H9I2NO and a molecular weight of 352.94 g/mol. Its IUPAC name is N-(4-iodobutyl)carbamoyl iodide.

Molecular Properties

Compound NameN-(4-iodobutyl)carbamoyl iodide
PubChem CID126602978
Molecular FormulaC5H9I2NO
Molecular Weight352.94 g/mol
Exact Mass352.88
IUPAC NameN-(4-iodobutyl)carbamoyl iodide
SMILESO=C(I)NCCCCI
InChIInChI=1S/C5H9I2NO/c6-3-1-2-4-8-5(7)9/h1-4H2,(H,8,9)
InChIKeySPDJEVSJLBEHFJ-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.94
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodobutyl)-2-methylpropanamide
CID 106846400
N-(6-iodohexyl)butanamide
CID 107848130
N-(6-iodohexyl)-2,2-dimethylbutanamide
CID 107848483
1-N,2-N-bis(4-iodobutyl)benzene-1,2-dicarboxamide
CID 139952452
N-(6-iodohexyl)-3,3-dimethylbutanamide
CID 107848022
N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide
CID 167061555
N-(5-iodopentyl)cyclobutanecarboxamide
CID 107322514
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
2,4,6-trifluoro-N-(5-iodopentyl)benzamide
CID 107322261
28-iodooctacosylcarbamodithioic acid
CID 87691231
27-iodoheptacosylcarbamodithioic acid
CID 87691248
23-iodotricosylcarbamodithioic acid
CID 87691353

Frequently Asked Questions

What is the IUPAC name of N-(4-iodobutyl)carbamoyl iodide?
The IUPAC name of N-(4-iodobutyl)carbamoyl iodide (CID 126602978) is N-(4-iodobutyl)carbamoyl iodide.
What is the SMILES notation for N-(4-iodobutyl)carbamoyl iodide?
The canonical SMILES for N-(4-iodobutyl)carbamoyl iodide is O=C(I)NCCCCI.
What is the InChIKey of N-(4-iodobutyl)carbamoyl iodide?
The InChIKey is SPDJEVSJLBEHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9I2NO/c6-3-1-2-4-8-5(7)9/h1-4H2,(H,8,9).
What are the key properties of N-(4-iodobutyl)carbamoyl iodide?
N-(4-iodobutyl)carbamoyl iodide has a molecular weight of 352.94 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodobutyl)carbamoyl iodide is sourced from PubChem (CID 126602978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).